==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 15-JAN-08 2JZR . COMPND 2 MOLECULE: PEPTIDE METHIONINE SULFOXIDE REDUCTASE MSRA/MSRB; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP A; . AUTHOR M.QUINTERNET,P.TSAN,F.NEIERS,C.BEAUFILS,S.BOSCHI-MULLER, . 144 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 . 11 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 185 0, 0.0 117,-0.1 0, 0.0 118,-0.0 0.000 360.0 360.0 360.0 -34.8 2.1 -0.0 -1.2 2 2 A V - 0 0 109 116,-0.1 2,-1.6 115,-0.1 3,-0.1 -0.432 360.0-164.4-163.1 78.0 3.8 3.3 -0.5 3 3 A P > - 0 0 54 0, 0.0 4,-1.5 0, 0.0 3,-0.2 -0.485 8.8-179.6 -69.8 86.9 3.3 4.8 3.0 4 4 A H H > S+ 0 0 136 -2,-1.6 4,-1.8 1,-0.2 3,-0.2 0.876 81.8 55.0 -55.2 -39.7 4.4 8.4 2.4 5 5 A T H > S+ 0 0 94 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.905 102.9 54.8 -61.5 -43.2 3.7 9.1 6.0 6 6 A L H 4 S+ 0 0 50 1,-0.2 3,-0.4 -3,-0.2 -1,-0.2 0.840 111.6 45.2 -59.6 -33.8 6.0 6.3 7.2 7 7 A S H < S+ 0 0 51 -4,-1.5 11,-0.6 1,-0.2 -1,-0.2 0.776 99.9 68.6 -80.4 -28.4 8.8 7.9 5.1 8 8 A T H < S+ 0 0 99 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.712 81.2 104.0 -63.1 -19.5 8.0 11.4 6.3 9 9 A L < - 0 0 31 -4,-0.7 8,-1.4 -3,-0.4 9,-0.5 -0.230 64.3-142.8 -62.8 153.1 9.3 10.2 9.7 10 10 A K E -AB 16 93A 102 83,-0.6 83,-2.5 6,-0.2 2,-0.1 -0.914 5.0-137.0-122.1 148.7 12.8 11.3 10.8 11 11 A T E > - B 0 92A 1 4,-3.2 3,-1.3 -2,-0.3 81,-0.2 -0.355 33.4-100.4 -94.4 177.4 15.5 9.4 12.8 12 12 A A T 3 S+ 0 0 15 79,-1.8 80,-0.1 1,-0.3 -1,-0.1 0.655 120.7 63.9 -71.7 -15.2 17.8 10.6 15.6 13 13 A D T 3 S- 0 0 45 78,-0.3 -1,-0.3 2,-0.2 79,-0.1 0.131 119.6-108.6 -94.3 19.5 20.5 11.1 13.0 14 14 A N S < S+ 0 0 131 -3,-1.3 -2,-0.1 1,-0.2 -4,-0.0 0.823 83.5 122.7 57.6 32.0 18.5 13.8 11.3 15 15 A R S S- 0 0 141 -4,-0.0 -4,-3.2 3,-0.0 2,-0.4 -0.836 73.5 -87.1-123.3 160.9 17.9 11.3 8.4 16 16 A P B > -A 10 0A 60 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.519 24.9-152.5 -69.7 120.0 14.9 9.8 6.7 17 17 A A G > S+ 0 0 2 -8,-1.4 3,-0.6 -2,-0.4 4,-0.3 0.651 90.6 74.5 -66.0 -14.2 13.7 6.7 8.5 18 18 A S G > S+ 0 0 37 -11,-0.6 3,-2.2 -9,-0.5 -1,-0.2 0.900 85.5 60.1 -65.6 -41.8 12.3 5.6 5.2 19 19 A V G < S+ 0 0 112 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.738 100.9 57.2 -58.5 -22.2 15.8 4.7 3.9 20 20 A Y G < S+ 0 0 72 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.596 101.7 71.3 -84.4 -12.2 16.0 2.3 6.8 21 21 A L < - 0 0 32 -3,-2.2 2,-0.4 -4,-0.3 39,-0.0 -0.533 68.4-149.1-100.3 168.9 12.8 0.5 5.5 22 22 A K > - 0 0 105 3,-0.4 3,-0.8 -2,-0.2 37,-0.1 -0.977 15.3-155.4-144.1 127.2 12.3 -1.7 2.5 23 23 A K T 3 S+ 0 0 171 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.390 101.4 53.9 -79.1 4.6 9.2 -2.2 0.4 24 24 A D T 3 S+ 0 0 79 1,-0.2 -1,-0.2 93,-0.0 92,-0.2 0.495 111.3 42.9-112.6 -11.5 10.6 -5.6 -0.6 25 25 A K S < S- 0 0 68 -3,-0.8 -3,-0.4 91,-0.2 2,-0.2 -0.973 90.0 -98.0-137.6 151.3 11.1 -6.9 3.0 26 26 A P - 0 0 30 0, 0.0 33,-0.7 0, 0.0 2,-0.3 -0.470 38.0-146.0 -69.8 131.7 9.1 -6.9 6.3 27 27 A T E -cD 59 114A 11 87,-2.0 87,-3.0 -2,-0.2 2,-0.5 -0.671 1.6-146.3 -99.3 154.5 10.2 -4.1 8.7 28 28 A L E -cD 60 113A 2 31,-0.9 33,-3.1 -2,-0.3 2,-0.5 -0.952 8.5-162.1-125.6 113.2 10.2 -4.4 12.5 29 29 A I E -c 61 0A 14 83,-3.3 2,-0.5 -2,-0.5 83,-0.5 -0.826 6.7-170.3 -97.4 124.2 9.4 -1.3 14.6 30 30 A K E -c 62 0A 3 31,-1.9 33,-2.3 -2,-0.5 2,-0.4 -0.957 9.4-150.7-118.1 122.3 10.4 -1.4 18.3 31 31 A F E +cE 63 110A 0 79,-0.5 79,-1.3 -2,-0.5 2,-0.2 -0.762 28.0 155.8 -93.4 132.2 9.3 1.3 20.7 32 32 A W - 0 0 4 31,-1.7 33,-0.4 -2,-0.4 2,-0.3 -0.749 24.5-145.1-139.5-173.9 11.6 2.2 23.6 33 33 A A > - 0 0 2 -2,-0.2 3,-1.5 3,-0.1 7,-0.4 -0.982 27.7-122.1-160.1 148.7 12.4 5.0 26.1 34 34 A S T 3 S+ 0 0 30 -2,-0.3 37,-0.1 1,-0.3 -1,-0.1 0.730 114.2 60.6 -63.9 -21.3 15.4 6.4 28.0 35 35 A W T 3 S+ 0 0 115 37,-0.0 -1,-0.3 5,-0.0 36,-0.0 0.037 87.7 95.8 -94.5 25.8 13.4 5.7 31.2 36 36 A a <> - 0 0 12 -3,-1.5 4,-3.4 1,-0.1 5,-0.3 -0.965 52.1-169.5-123.3 119.7 13.4 2.0 30.4 37 37 A P H > S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.916 92.7 50.7 -69.8 -45.4 16.0 -0.4 31.8 38 38 A L H 4 S+ 0 0 120 1,-0.2 -2,-0.0 2,-0.2 -6,-0.0 0.614 121.0 38.7 -69.0 -11.2 15.0 -3.4 29.6 39 39 A a H >> S+ 0 0 1 -3,-0.2 3,-1.2 -6,-0.2 4,-0.5 0.840 114.2 47.2-102.2 -56.3 15.3 -1.0 26.7 40 40 A L H >< S+ 0 0 58 -4,-3.4 3,-0.9 -7,-0.4 4,-0.4 0.880 116.7 46.9 -54.7 -40.4 18.3 1.2 27.4 41 41 A S T 3< S+ 0 0 106 -4,-2.0 -1,-0.3 -5,-0.3 4,-0.3 0.612 111.2 53.3 -77.4 -12.4 20.3 -1.9 28.3 42 42 A E T <> S+ 0 0 33 -3,-1.2 4,-2.3 -5,-0.2 5,-0.2 0.378 79.8 99.4-101.0 1.0 19.0 -3.6 25.2 43 43 A L H S+ 0 0 16 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.893 109.1 58.2 -51.4 -44.8 23.3 -2.4 21.8 45 45 A Q H >> S+ 0 0 50 -4,-0.3 4,-2.3 1,-0.2 3,-0.7 0.939 109.6 42.6 -51.3 -53.9 21.4 -5.6 21.2 46 46 A T H 3X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.863 107.6 61.7 -62.2 -36.9 19.0 -4.0 18.8 47 47 A E H 3< S+ 0 0 27 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.825 110.2 41.3 -59.1 -32.1 22.0 -2.1 17.2 48 48 A K H XX S+ 0 0 145 -4,-1.6 3,-1.6 -3,-0.7 4,-0.9 0.880 109.0 57.8 -82.7 -42.2 23.4 -5.5 16.3 49 49 A W H >< S+ 0 0 7 -4,-2.3 3,-1.3 1,-0.3 6,-0.2 0.920 102.3 54.7 -53.9 -48.2 20.1 -7.1 15.2 50 50 A A T 3< S+ 0 0 32 -4,-2.3 -1,-0.3 1,-0.3 10,-0.2 0.647 115.7 41.3 -61.7 -13.3 19.6 -4.4 12.6 51 51 A Q T <4 S+ 0 0 136 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.449 86.2 120.9-110.9 -6.7 23.0 -5.4 11.3 52 52 A D XX - 0 0 61 -3,-1.3 3,-1.3 -4,-0.9 4,-0.5 -0.417 63.2-139.4 -63.2 125.8 22.6 -9.1 11.7 53 53 A A G >4 S+ 0 0 79 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.840 105.8 55.6 -54.0 -35.2 23.0 -10.8 8.3 54 54 A K G >4 S+ 0 0 151 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.776 101.2 57.6 -69.3 -26.7 20.1 -13.1 9.2 55 55 A F G X4 S+ 0 0 9 -3,-1.3 3,-2.3 -6,-0.2 -1,-0.3 0.552 78.7 92.6 -79.9 -7.9 18.0 -10.0 9.8 56 56 A S G << S+ 0 0 85 -3,-1.0 -1,-0.2 -4,-0.5 3,-0.2 0.724 78.9 61.8 -57.7 -20.6 18.7 -9.0 6.2 57 57 A S G < S+ 0 0 81 -3,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.691 115.3 29.8 -79.0 -19.6 15.5 -10.8 5.4 58 58 A A S < S- 0 0 0 -3,-2.3 -1,-0.3 -33,-0.2 -31,-0.2 -0.920 86.2-124.2-146.1 116.0 13.5 -8.4 7.6 59 59 A N E -c 27 0A 26 -33,-0.7 -31,-0.9 -2,-0.3 2,-0.4 -0.188 26.2-160.5 -55.8 146.8 14.3 -4.8 8.3 60 60 A L E +c 28 0A 8 -33,-0.2 2,-0.3 -40,-0.2 -31,-0.2 -0.978 20.6 150.0-138.5 123.4 14.7 -3.9 12.0 61 61 A I E -c 29 0A 6 -33,-3.1 -31,-1.9 -2,-0.4 30,-0.2 -0.979 29.2-134.1-148.5 158.7 14.5 -0.4 13.5 62 62 A T E -cf 30 91A 3 28,-3.1 30,-2.1 -2,-0.3 2,-0.3 -0.501 12.5-146.5-107.1 177.9 13.4 1.3 16.7 63 63 A V E -cf 31 92A 1 -33,-2.3 -31,-1.7 28,-0.3 2,-0.3 -0.986 4.8-159.0-150.5 137.0 11.3 4.4 17.5 64 64 A A E - f 0 93A 0 28,-2.7 30,-0.9 -2,-0.3 33,-0.2 -0.853 9.4-150.2-117.0 152.5 11.5 7.1 20.2 65 65 A S > - 0 0 3 -33,-0.4 3,-1.6 -2,-0.3 2,-0.4 -0.754 15.0-162.7-124.3 84.4 8.8 9.5 21.5 66 66 A P T 3 S+ 0 0 5 0, 0.0 30,-0.9 0, 0.0 8,-0.2 -0.521 79.7 12.4 -69.8 118.9 10.4 12.7 22.7 67 67 A G T 3 S+ 0 0 55 5,-1.5 2,-0.3 4,-0.6 6,-0.1 0.626 107.6 107.5 90.2 14.9 8.0 14.6 25.0 68 68 A F S X S- 0 0 56 -3,-1.6 3,-2.4 4,-0.3 2,-2.0 -0.954 85.4 -19.2-128.1 146.6 5.5 11.7 25.3 69 69 A L T 3 S- 0 0 76 -2,-0.3 37,-0.0 1,-0.3 28,-0.0 -0.396 130.7 -35.1 63.4 -84.1 4.7 9.4 28.2 70 70 A H T 3 S+ 0 0 154 -2,-2.0 -1,-0.3 -5,-0.2 2,-0.2 0.118 101.5 127.5-156.8 22.4 7.9 10.1 30.2 71 71 A E < - 0 0 14 -3,-2.4 -4,-0.6 -6,-0.4 -38,-0.0 -0.526 65.3 -91.3 -87.1 154.9 10.6 10.6 27.5 72 72 A K - 0 0 45 -2,-0.2 -5,-1.5 -6,-0.1 -4,-0.3 -0.012 49.9 -93.5 -56.4 167.2 12.9 13.6 27.3 73 73 A K >> - 0 0 134 -7,-0.2 4,-1.8 1,-0.2 3,-1.2 -0.487 52.5 -77.5 -85.0 156.7 12.0 16.6 25.3 74 74 A D T 34 S+ 0 0 91 -8,-0.2 2,-0.8 1,-0.2 -1,-0.2 -0.093 117.0 24.8 -49.6 148.1 13.0 17.2 21.7 75 75 A G T 3> S+ 0 0 37 1,-0.1 4,-1.4 -3,-0.1 -1,-0.2 -0.236 118.8 60.6 89.4 -47.2 16.6 18.4 21.2 76 76 A D H <> S+ 0 0 62 -3,-1.2 4,-2.5 -2,-0.8 5,-0.3 0.951 98.1 53.3 -77.0 -53.7 17.7 16.8 24.5 77 77 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.840 111.7 49.8 -50.1 -36.0 16.9 13.2 23.8 78 78 A Q H > S+ 0 0 43 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.935 111.6 45.2 -70.0 -48.1 19.0 13.6 20.6 79 79 A K H < S+ 0 0 150 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.750 119.0 45.3 -67.2 -23.6 22.0 15.1 22.3 80 80 A W H >< S+ 0 0 66 -4,-2.5 3,-1.0 2,-0.1 -2,-0.2 0.833 112.9 47.6 -87.3 -37.4 21.7 12.4 25.0 81 81 A Y H >< S+ 0 0 4 -4,-2.5 3,-1.4 -5,-0.3 5,-0.4 0.732 100.9 67.4 -75.3 -22.7 21.1 9.5 22.7 82 82 A A T 3< S+ 0 0 80 -4,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.534 98.7 53.7 -74.2 -5.6 24.1 10.7 20.6 83 83 A G T < S+ 0 0 60 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.160 79.9 90.2-113.7 17.0 26.3 9.8 23.5 84 84 A L S < S- 0 0 31 -3,-1.4 -1,-0.1 2,-0.1 -2,-0.1 0.391 100.0-116.3 -91.5 2.2 25.1 6.2 23.9 85 85 A N S S+ 0 0 142 -3,-0.2 3,-0.1 1,-0.1 -3,-0.1 0.838 83.5 117.9 66.2 33.4 27.9 5.0 21.6 86 86 A Y > + 0 0 63 -5,-0.4 3,-1.3 1,-0.1 -1,-0.1 -0.485 18.3 148.8-129.9 62.2 25.2 3.7 19.1 87 87 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.610 77.5 54.1 -69.7 -11.8 25.7 5.8 15.9 88 88 A K T 3 S+ 0 0 131 -3,-0.1 -38,-0.1 2,-0.1 -2,-0.0 -0.047 81.4 114.8-112.2 29.5 24.4 2.8 14.0 89 89 A L < - 0 0 1 -3,-1.3 2,-0.7 2,-0.1 -77,-0.2 -0.894 64.0-134.9-107.1 114.6 21.2 2.4 15.9 90 90 A P + 0 0 5 0, 0.0 -28,-3.1 0, 0.0 2,-0.4 -0.535 35.5 165.5 -69.8 109.2 18.0 3.1 13.9 91 91 A V E - f 0 62A 0 -2,-0.7 -79,-1.8 -30,-0.2 2,-0.6 -0.953 24.4-153.2-132.9 114.7 15.7 5.3 16.0 92 92 A V E -Bf 11 63A 6 -30,-2.1 -28,-2.7 -2,-0.4 -81,-0.3 -0.761 18.7-135.3 -89.6 119.9 12.7 7.1 14.5 93 93 A T E -Bf 10 64A 6 -83,-2.5 -83,-0.6 -2,-0.6 2,-0.3 -0.444 17.3-168.8 -73.6 144.7 11.8 10.3 16.4 94 94 A D > - 0 0 2 -30,-0.9 3,-3.1 -2,-0.1 2,-1.3 -0.747 14.2-148.8-138.8 88.8 8.1 10.9 17.2 95 95 A N T 3 S- 0 0 100 -2,-0.3 -28,-0.1 1,-0.3 -30,-0.1 -0.372 94.8 -1.4 -59.2 91.6 7.3 14.4 18.5 96 96 A G T 3 S- 0 0 34 -2,-1.3 -1,-0.3 -30,-0.9 -27,-0.1 0.515 120.7 -80.3 102.3 8.2 4.4 13.4 20.8 97 97 A G <> + 0 0 0 -3,-3.1 4,-1.7 -31,-0.2 5,-0.2 0.985 66.5 167.5 61.4 61.6 4.4 9.7 20.0 98 98 A T H > S+ 0 0 85 2,-0.2 4,-1.3 3,-0.2 5,-0.1 0.931 78.1 36.1 -71.1 -47.3 2.6 9.9 16.7 99 99 A I H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.947 117.4 51.2 -71.1 -50.6 3.4 6.3 15.6 100 100 A A H >>S+ 0 0 0 1,-0.2 5,-2.5 2,-0.2 4,-0.6 0.923 113.4 45.3 -52.3 -49.8 3.2 4.8 19.1 101 101 A Q H <5S+ 0 0 132 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.847 111.3 53.9 -63.9 -34.6 -0.3 6.4 19.7 102 102 A S H <5S+ 0 0 85 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 116.2 38.2 -70.3 -28.4 -1.3 5.2 16.2 103 103 A L H <5S- 0 0 51 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.394 115.3-116.2-101.1 0.0 -0.3 1.7 17.1 104 104 A N T <5 + 0 0 136 -4,-0.6 2,-0.9 -3,-0.3 -3,-0.2 0.971 50.9 168.4 63.4 56.2 -1.6 2.0 20.7 105 105 A I < + 0 0 8 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.802 17.4 141.4-105.5 92.6 1.8 1.5 22.3 106 106 A S + 0 0 87 -2,-0.9 2,-0.4 1,-0.1 -1,-0.2 0.644 61.4 64.0-101.3 -21.5 1.5 2.4 26.0 107 107 A V S S- 0 0 80 -3,-0.2 -76,-0.1 2,-0.0 19,-0.1 -0.899 84.7-112.7-109.7 132.8 3.7 -0.4 27.3 108 108 A Y S S+ 0 0 38 -2,-0.4 2,-0.2 17,-0.1 -76,-0.1 -0.902 83.0 35.7-125.0 153.2 7.5 -0.5 26.5 109 109 A P S S+ 0 0 6 0, 0.0 2,-0.3 0, 0.0 -77,-0.2 0.598 81.5 164.7 -69.8-179.7 9.4 -2.0 25.1 110 110 A S B -E 31 0A 1 -79,-1.3 -79,-0.5 15,-0.2 2,-0.3 -0.960 23.1-148.8-155.0 168.9 7.3 -3.0 22.2 111 111 A W E - G 0 124A 2 13,-3.1 13,-0.5 -2,-0.3 -81,-0.2 -0.927 7.5-175.3-141.4 164.8 7.4 -4.4 18.6 112 112 A A E - G 0 123A 2 -83,-0.5 -83,-3.3 -2,-0.3 2,-0.4 -0.706 11.1-155.4-167.1 109.2 5.6 -4.2 15.3 113 113 A L E -DG 28 122A 4 9,-1.9 8,-2.6 -85,-0.2 9,-1.5 -0.729 8.5-163.5 -91.2 134.6 6.2 -6.1 12.1 114 114 A I E -DG 27 120A 27 -87,-3.0 -87,-2.0 -2,-0.4 6,-0.2 -0.952 20.1-124.5-122.4 114.3 5.0 -4.6 8.8 115 115 A G > - 0 0 18 4,-2.0 3,-2.5 -2,-0.5 -88,-0.2 0.007 31.3-103.7 -49.0 158.7 4.8 -6.8 5.7 116 116 A K T 3 S+ 0 0 132 1,-0.3 -91,-0.2 -92,-0.2 -1,-0.1 0.825 122.4 65.6 -55.4 -32.3 6.7 -5.8 2.6 117 117 A D T 3 S- 0 0 104 -93,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.665 121.3-109.9 -64.9 -15.2 3.3 -4.6 1.2 118 118 A G S < S+ 0 0 36 -3,-2.5 2,-0.2 1,-0.4 -2,-0.2 0.536 78.8 125.5 96.4 8.6 3.4 -2.0 3.9 119 119 A D - 0 0 107 1,-0.1 -4,-2.0 -4,-0.0 -1,-0.4 -0.659 69.6 -86.5-100.2 157.0 0.6 -3.6 5.9 120 120 A V E +G 114 0A 77 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.234 41.4 171.7 -59.3 147.0 0.5 -4.6 9.6 121 121 A Q E - 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