==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SPLICING 08-AUG-12 4GIG . COMPND 2 MOLECULE: DNA POLYMERASE III SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR P.VAN ROEY . 162 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 38.3 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 . 5 3.1 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 . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 1 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 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 -3 A a > 0 0 52 0, 0.0 3,-1.1 0, 0.0 71,-0.2 0.000 360.0 360.0 360.0 103.2 20.6 3.7 2.1 2 -2 A P T 3 + 0 0 79 0, 0.0 70,-0.2 0, 0.0 72,-0.1 0.884 360.0 48.0 -60.9 -45.0 24.4 3.0 1.7 3 -1 A G T 3 S+ 0 0 14 72,-0.1 2,-0.3 159,-0.1 72,-0.0 -0.051 88.1 118.5 -91.9 33.7 25.2 6.2 -0.1 4 1 A a < - 0 0 0 -3,-1.1 68,-1.0 139,-0.1 2,-0.3 -0.699 47.5-151.7-101.1 154.4 23.4 8.6 2.3 5 2 A L E -AB 71 142A 0 137,-2.5 137,-2.3 -2,-0.3 66,-0.2 -0.875 26.2 -99.1-122.4 152.7 24.9 11.3 4.4 6 3 A S E > - B 0 141A 12 64,-1.9 3,-2.1 -2,-0.3 15,-0.3 -0.292 42.7-100.9 -67.5 156.2 23.7 12.8 7.7 7 4 A F T 3 S+ 0 0 96 133,-1.3 15,-2.4 1,-0.3 16,-0.4 0.840 117.6 51.7 -43.0 -49.9 21.7 16.1 7.7 8 5 A G T 3 S+ 0 0 41 12,-0.2 2,-0.4 13,-0.2 -1,-0.3 0.417 72.6 127.2 -76.8 2.3 24.6 18.3 8.6 9 6 A T < - 0 0 14 -3,-2.1 12,-2.3 61,-0.1 2,-0.5 -0.464 58.1-135.2 -65.5 117.2 27.1 17.1 6.0 10 7 A E E -E 20 0B 75 -2,-0.4 145,-2.9 10,-0.2 2,-0.4 -0.631 18.9-164.6 -80.9 118.3 28.2 20.3 4.2 11 8 A I E -EF 19 154B 0 8,-2.7 8,-2.0 -2,-0.5 2,-0.9 -0.842 24.3-120.9-102.2 134.7 28.3 20.0 0.4 12 9 A L E -E 18 0B 1 141,-2.0 22,-0.6 -2,-0.4 2,-0.3 -0.657 34.4-166.6 -78.1 106.3 30.2 22.7 -1.5 13 10 A T E > -EG 17 33B 0 4,-1.5 4,-1.6 -2,-0.9 20,-0.2 -0.734 22.3-136.0 -98.1 145.7 27.7 24.3 -3.8 14 11 A V T 4 S+ 0 0 53 18,-2.2 -1,-0.1 -2,-0.3 19,-0.1 0.968 101.3 33.8 -59.2 -56.6 28.6 26.6 -6.7 15 12 A E T 4 S+ 0 0 95 17,-0.2 -1,-0.2 1,-0.2 18,-0.1 0.806 133.0 23.1 -73.3 -33.2 26.0 29.3 -6.1 16 13 A Y T 4 S- 0 0 142 1,-0.3 -1,-0.2 3,-0.0 -2,-0.2 0.427 93.1-131.9-118.4 0.7 25.8 29.3 -2.3 17 14 A G E < S+E 13 0B 17 -4,-1.6 -4,-1.5 2,-0.1 -1,-0.3 -0.408 71.3 3.8 77.3-161.1 29.0 27.8 -1.0 18 15 A P E S+E 12 0B 66 0, 0.0 -6,-0.2 0, 0.0 -8,-0.1 -0.343 70.6 169.0 -61.8 131.4 28.7 25.1 1.7 19 16 A L E -E 11 0B 24 -8,-2.0 -8,-2.7 -10,-0.1 136,-0.1 -0.994 39.5-104.6-142.4 138.7 25.2 24.0 2.6 20 17 A P E >> -E 10 0B 24 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.362 25.3-129.5 -62.1 140.1 24.0 21.0 4.7 21 18 A I H 3> S+ 0 0 0 -12,-2.3 4,-2.7 -15,-0.3 5,-0.3 0.855 109.4 60.3 -59.5 -33.1 22.7 18.2 2.5 22 19 A G H 3> S+ 0 0 0 -15,-2.4 4,-2.3 -16,-0.2 -1,-0.3 0.840 107.0 44.6 -63.4 -33.7 19.6 18.2 4.8 23 20 A K H <> S+ 0 0 72 -3,-0.8 4,-2.2 -16,-0.4 5,-0.2 0.932 111.6 52.6 -74.5 -47.2 18.9 21.8 3.8 24 21 A I H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-0.3 0.911 118.5 37.2 -53.8 -46.0 19.5 21.2 0.1 25 22 A V H <5S+ 0 0 8 -4,-2.7 3,-0.3 3,-0.2 -1,-0.2 0.902 113.6 53.9 -76.2 -41.5 17.1 18.2 0.2 26 23 A S H <5S+ 0 0 77 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.819 122.8 30.5 -63.3 -31.4 14.5 19.7 2.6 27 24 A E T <5S- 0 0 111 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.390 103.6-131.2-104.4 -1.1 14.1 22.8 0.4 28 25 A E T 5 - 0 0 111 -3,-0.3 2,-0.3 -4,-0.3 -3,-0.2 0.948 32.8-157.3 45.2 57.6 14.9 20.9 -2.8 29 26 A I < - 0 0 22 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.2 -0.492 12.3-136.9 -70.3 122.8 17.4 23.6 -3.7 30 27 A N + 0 0 120 -2,-0.3 2,-0.3 -3,-0.2 -1,-0.1 -0.740 55.8 123.3 -81.1 111.0 18.2 23.9 -7.3 31 28 A C - 0 0 2 -2,-0.8 16,-2.3 16,-0.1 2,-0.3 -0.949 55.1-107.7-157.6 173.7 22.0 24.4 -7.3 32 29 A S E - H 0 46B 21 -2,-0.3 -18,-2.2 14,-0.3 14,-0.3 -0.809 21.5-157.3-113.4 156.3 25.1 22.8 -8.7 33 30 A V E -GH 13 45B 0 12,-2.5 12,-1.7 -2,-0.3 2,-0.5 -0.689 25.5-107.4-120.2 173.3 27.9 20.8 -7.0 34 31 A Y E + H 0 44B 8 -22,-0.6 119,-2.0 119,-0.3 2,-0.3 -0.921 42.6 178.1-105.8 130.6 31.5 20.2 -8.0 35 32 A S E - H 0 43B 0 8,-3.0 8,-2.3 -2,-0.5 2,-0.4 -0.896 24.3-130.9-133.6 161.1 32.3 16.7 -9.2 36 33 A V E - H 0 42B 6 -2,-0.3 6,-0.2 6,-0.2 114,-0.0 -0.930 19.0-148.4-114.9 132.7 35.2 14.7 -10.6 37 34 A D > - 0 0 18 4,-2.5 3,-1.9 -2,-0.4 111,-0.0 -0.271 38.8 -89.9 -88.5 179.8 35.1 12.6 -13.8 38 35 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.747 126.6 59.3 -62.5 -22.6 37.0 9.4 -14.5 39 36 A E T 3 S- 0 0 122 2,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.322 120.2-109.6 -87.7 8.5 39.9 11.4 -15.9 40 37 A G S < S+ 0 0 6 -3,-1.9 79,-2.2 1,-0.2 2,-0.3 0.705 73.1 139.4 72.3 21.2 40.3 13.2 -12.6 41 38 A R E - I 0 118B 91 77,-0.2 -4,-2.5 78,-0.1 2,-0.3 -0.786 47.1-131.2-101.3 143.6 39.0 16.5 -13.9 42 39 A V E +HI 36 117B 1 75,-3.5 75,-2.2 -2,-0.3 2,-0.3 -0.717 34.8 153.2 -95.5 140.9 36.6 18.7 -11.9 43 40 A Y E -H 35 0B 16 -8,-2.3 -8,-3.0 -2,-0.3 2,-0.3 -0.907 37.8-106.3-151.5 173.5 33.4 20.2 -13.3 44 41 A T E +H 34 0B 55 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.816 30.5 176.9-109.9 152.8 30.0 21.4 -12.1 45 42 A Q E -H 33 0B 6 -12,-1.7 -12,-2.5 -2,-0.3 2,-0.3 -0.985 28.1-116.0-152.4 143.8 26.6 19.8 -12.4 46 43 A A E -H 32 0B 55 -2,-0.3 -14,-0.3 -14,-0.3 -16,-0.1 -0.610 35.9-104.9 -84.6 140.8 23.1 20.6 -11.2 47 44 A I - 0 0 8 -16,-2.3 99,-0.2 -2,-0.3 -16,-0.1 -0.367 33.4-176.7 -61.2 136.5 21.3 18.3 -8.8 48 45 A A + 0 0 40 97,-3.1 2,-0.3 1,-0.3 98,-0.2 0.738 64.8 28.7-106.1 -35.5 18.5 16.3 -10.5 49 46 A Q E -C 145 0A 92 96,-1.6 96,-2.8 2,-0.0 2,-0.5 -0.969 60.0-155.1-131.8 148.2 16.9 14.5 -7.6 50 47 A W E -C 144 0A 47 -2,-0.3 2,-0.5 94,-0.2 94,-0.2 -0.988 16.7-167.6-122.7 121.9 16.5 15.2 -3.9 51 48 A H E -C 143 0A 52 92,-2.7 92,-2.1 -2,-0.5 2,-0.8 -0.951 18.4-169.6-121.5 126.8 16.1 12.2 -1.5 52 49 A D E -C 142 0A 70 -2,-0.5 90,-0.2 90,-0.2 3,-0.1 -0.922 13.2-177.0-106.7 100.7 15.0 12.2 2.1 53 50 A R E - 0 0 124 88,-1.4 2,-0.6 -2,-0.8 89,-0.2 0.191 27.1-134.4 -90.0 17.8 15.8 8.6 3.1 54 51 A G E - 0 0 26 87,-0.3 87,-1.4 86,-0.0 2,-0.3 -0.574 53.1 -27.9 75.0-113.3 14.5 8.7 6.7 55 52 A E E +C 140 0A 130 -2,-0.6 2,-0.3 85,-0.3 85,-0.2 -0.988 55.7 146.8-146.8 155.3 16.9 7.1 9.1 56 53 A Q E -C 139 0A 36 83,-1.6 83,-2.9 -2,-0.3 2,-0.3 -0.958 57.6 -51.7-168.7 174.8 19.6 4.4 9.6 57 54 A E E -C 138 0A 115 81,-0.3 2,-0.4 -2,-0.3 16,-0.3 -0.461 57.4-177.1 -64.5 120.3 22.8 3.7 11.5 58 55 A V E - 0 0 1 79,-2.8 78,-1.9 -2,-0.3 2,-0.3 -0.968 8.6-161.6-124.6 138.8 25.2 6.6 11.2 59 56 A L E -CD 135 71A 26 12,-2.0 12,-1.7 -2,-0.4 2,-0.7 -0.821 19.2-126.5-116.4 155.5 28.7 6.9 12.5 60 57 A E E -CD 134 70A 42 74,-1.9 74,-0.7 -2,-0.3 2,-0.6 -0.898 24.6-161.0-104.2 111.6 31.0 9.9 13.2 61 58 A Y E -CD 133 69A 0 8,-3.1 8,-2.3 -2,-0.7 2,-0.5 -0.835 6.5-147.8 -97.2 122.1 34.3 9.5 11.4 62 59 A E E -CD 132 68A 100 70,-2.3 69,-1.4 -2,-0.6 70,-1.3 -0.782 15.8-150.8 -90.8 124.8 37.2 11.7 12.7 63 60 A L E > -C 130 0A 2 4,-2.6 3,-1.5 -2,-0.5 67,-0.2 -0.573 22.3-117.5 -95.9 159.3 39.7 12.7 10.1 64 61 A E T 3 S+ 0 0 108 65,-2.5 66,-0.1 1,-0.3 -1,-0.1 0.834 113.5 56.5 -61.0 -37.5 43.4 13.5 10.4 65 62 A D T 3 S- 0 0 64 64,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.423 122.6-104.7 -78.1 3.6 42.9 17.1 9.2 66 63 A G S < S+ 0 0 53 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.086 84.3 119.2 97.9 -24.2 40.4 17.6 12.0 67 64 A S - 0 0 26 89,-0.1 -4,-2.6 -5,-0.1 2,-0.3 -0.170 51.2-142.2 -69.7 169.0 37.3 17.6 9.9 68 65 A V E - D 0 62A 56 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.979 9.1-155.1-137.5 149.9 34.6 14.9 10.4 69 66 A I E - D 0 61A 4 -8,-2.3 -8,-3.1 -2,-0.3 2,-0.7 -0.991 5.8-162.3-126.0 123.2 32.3 12.9 8.2 70 67 A R E + D 0 60A 93 -2,-0.5 -64,-1.9 -10,-0.2 2,-0.3 -0.922 41.3 112.6-107.5 111.7 29.0 11.6 9.5 71 68 A A E S-AD 5 59A 0 -12,-1.7 -12,-2.0 -2,-0.7 -66,-0.2 -0.971 70.2 -61.3-164.0 174.1 27.7 8.8 7.3 72 69 A A > - 0 0 4 -68,-1.0 3,-2.2 -2,-0.3 15,-0.3 -0.348 54.7-111.6 -64.1 148.8 26.9 5.1 7.1 73 70 A S T 3 S+ 0 0 46 1,-0.3 15,-2.4 -16,-0.3 16,-0.4 0.768 116.2 51.3 -54.2 -29.3 30.0 2.9 7.5 74 71 A D T 3 S+ 0 0 73 12,-0.2 -1,-0.3 13,-0.2 2,-0.1 0.345 75.0 126.9 -95.4 10.1 29.8 1.9 3.8 75 72 A H < - 0 0 0 -3,-2.2 12,-3.0 11,-0.1 2,-0.3 -0.456 58.8-126.4 -66.6 136.5 29.5 5.4 2.3 76 73 A R E +J 86 0C 109 10,-0.3 85,-2.9 -2,-0.1 2,-0.3 -0.641 29.0 179.3 -92.7 142.3 32.2 5.7 -0.4 77 74 A F E -JK 85 160C 0 8,-2.4 8,-1.9 -2,-0.3 2,-0.3 -0.941 36.8 -93.0-134.4 155.8 34.8 8.5 -0.7 78 75 A L E -J 84 0C 12 81,-2.5 20,-2.1 -2,-0.3 81,-0.3 -0.538 39.4-154.5 -75.3 129.8 37.6 9.1 -3.1 79 76 A T B > -M 97 0D 0 4,-2.0 3,-2.6 -2,-0.3 18,-0.2 -0.545 34.5 -97.7 -98.8 166.8 41.1 7.7 -2.2 80 77 A T T 3 S+ 0 0 41 16,-2.0 17,-0.1 1,-0.3 -1,-0.1 0.721 125.4 53.4 -55.3 -22.9 44.5 8.9 -3.2 81 78 A D T 3 S- 0 0 111 15,-0.3 -1,-0.3 2,-0.1 16,-0.1 0.172 122.3-104.3 -99.0 16.2 44.5 6.2 -5.9 82 79 A Y S < S+ 0 0 112 -3,-2.6 2,-0.4 1,-0.2 -2,-0.1 0.864 75.2 138.7 65.0 38.8 41.2 7.3 -7.4 83 80 A Q - 0 0 87 -4,-0.1 -4,-2.0 -6,-0.1 2,-0.9 -0.927 51.1-138.0-113.9 138.2 39.1 4.4 -5.9 84 81 A L E +J 78 0C 49 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.847 39.8 166.4 -97.0 103.0 35.7 5.0 -4.4 85 82 A L E -J 77 0C 28 -8,-1.9 -8,-2.4 -2,-0.9 76,-0.1 -0.862 43.5 -90.5-121.6 154.5 35.7 2.9 -1.2 86 83 A A E >> -J 76 0C 19 -2,-0.3 4,-2.3 -10,-0.3 3,-0.6 -0.327 34.6-128.7 -58.6 136.0 33.6 2.7 1.9 87 84 A I H 3> S+ 0 0 0 -12,-3.0 4,-2.0 -15,-0.3 -13,-0.2 0.833 110.1 58.1 -58.7 -32.1 34.8 5.0 4.6 88 85 A E H 3> S+ 0 0 50 -15,-2.4 4,-2.9 2,-0.2 -1,-0.3 0.894 108.0 46.8 -64.5 -38.0 34.8 2.2 7.1 89 86 A E H <> S+ 0 0 70 -3,-0.6 4,-3.2 -16,-0.4 5,-0.2 0.897 108.6 54.7 -68.8 -41.6 37.2 0.3 4.7 90 87 A I H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 40,-0.3 0.860 113.3 43.2 -59.5 -36.2 39.3 3.5 4.4 91 88 A F H ><5S+ 0 0 39 -4,-2.0 3,-0.9 3,-0.2 -2,-0.2 0.945 114.8 48.7 -73.3 -50.2 39.6 3.5 8.2 92 89 A A H 3<5S+ 0 0 69 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.862 120.8 35.2 -58.4 -41.7 40.2 -0.3 8.5 93 90 A R T 3<5S- 0 0 137 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.369 106.3-127.5 -94.5 3.7 42.9 -0.3 5.8 94 91 A Q T < 5 + 0 0 83 -3,-0.9 -3,-0.2 -5,-0.2 2,-0.1 0.914 46.8 170.1 49.1 51.0 44.2 3.1 6.8 95 92 A L < - 0 0 32 -5,-2.1 35,-0.5 -6,-0.2 2,-0.4 -0.481 34.5-107.0 -86.7 162.5 44.0 4.4 3.3 96 93 A D E - N 0 129D 40 -2,-0.1 -16,-2.0 33,-0.1 2,-0.4 -0.753 22.3-133.6 -95.4 136.9 44.4 8.1 2.4 97 94 A L E -MN 79 128D 1 31,-3.4 31,-1.6 -2,-0.4 2,-0.8 -0.705 18.4-130.0 -85.1 135.9 41.5 10.4 1.4 98 95 A L E + N 0 127D 4 -20,-2.1 61,-0.5 -2,-0.4 2,-0.3 -0.790 45.4 164.7 -86.9 110.4 42.2 12.5 -1.6 99 96 A T E - N 0 126D 4 27,-1.7 27,-3.1 -2,-0.8 2,-0.4 -0.928 41.9-114.3-132.4 157.0 41.2 16.0 -0.5 100 97 A L E - N 0 125D 5 57,-1.2 3,-0.3 -2,-0.3 25,-0.2 -0.725 20.3-154.9 -86.3 132.7 41.6 19.7 -1.4 101 98 A E S S+ 0 0 117 23,-3.1 2,-0.5 -2,-0.4 -1,-0.1 0.875 82.6 29.4 -76.7 -40.2 43.5 21.6 1.1 102 99 A N > - 0 0 72 22,-0.5 4,-2.1 1,-0.2 -1,-0.2 -0.862 61.4-176.5-128.5 99.0 42.1 25.1 0.4 103 100 A I H > S+ 0 0 27 -2,-0.5 4,-3.1 -3,-0.3 5,-0.3 0.946 84.5 50.6 -55.2 -57.1 38.5 25.2 -0.9 104 101 A K H > S+ 0 0 169 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 113.4 45.5 -50.2 -47.6 38.4 29.0 -1.4 105 102 A Q H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 113.7 50.7 -66.3 -36.0 41.6 29.1 -3.4 106 103 A T H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.914 110.5 47.4 -69.2 -43.0 40.5 26.0 -5.4 107 104 A E H X S+ 0 0 37 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.865 110.3 54.2 -66.2 -34.5 37.1 27.5 -6.3 108 105 A E H < S+ 0 0 125 -4,-1.9 3,-0.4 -5,-0.3 4,-0.3 0.904 109.5 46.9 -65.5 -40.5 38.8 30.8 -7.2 109 106 A A H >< S+ 0 0 23 -4,-1.8 3,-1.6 13,-0.2 -2,-0.2 0.906 109.2 53.9 -67.5 -42.1 41.1 28.9 -9.6 110 107 A L H >< S+ 0 0 9 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.689 100.8 62.5 -66.4 -17.9 38.2 27.0 -11.1 111 108 A D T 3< S+ 0 0 112 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.581 106.8 44.1 -82.3 -10.7 36.5 30.3 -11.8 112 109 A N T < S+ 0 0 123 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.067 105.8 70.9-121.5 23.7 39.3 31.3 -14.1 113 110 A H S < S- 0 0 95 -3,-0.7 2,-0.3 4,-0.0 4,-0.1 -0.965 84.0-102.1-140.0 155.7 39.7 28.1 -16.1 114 111 A R - 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