==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-FEB-13 4JD7 . COMPND 2 MOLECULE: PROLINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 626 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 28.1 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 . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 60 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 0 0 2 0 0 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 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 PARALLEL BRIDGES PER LADDER . 4 2 2 6 2 2 6 2 0 2 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 0 0 0 0 0 0 0 0 0 0 0 2 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 -5 A N > 0 0 170 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.7 13.1 55.6 -1.8 2 -4 A L T 4 + 0 0 155 1,-0.2 3,-0.5 2,-0.2 0, 0.0 0.866 360.0 54.5 -59.2 -32.3 15.3 58.7 -2.1 3 -3 A Y T >> S+ 0 0 126 1,-0.3 3,-4.1 2,-0.2 4,-0.6 0.959 96.5 60.1 -69.6 -50.3 14.5 59.5 1.6 4 -2 A F T 34 S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.742 108.9 50.2 -55.3 -14.7 15.6 56.2 2.9 5 -1 A Q T 3< S+ 0 0 133 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.223 83.6 79.2-113.2 28.1 18.9 57.3 1.4 6 0 A S T <4 S+ 0 0 69 -3,-4.1 2,-0.3 2,-0.1 300,-0.3 0.499 94.5 81.4 -74.4 -9.0 19.0 60.7 3.0 7 1 A M S < S- 0 0 16 -4,-0.6 298,-0.2 -3,-0.2 2,-0.2 -0.729 88.4-118.5-107.7 141.9 20.1 58.3 5.7 8 2 A K E -A 304 0A 96 296,-1.4 296,-2.5 -2,-0.3 2,-0.4 -0.505 39.7-149.8 -64.9 145.5 23.4 56.7 6.6 9 3 A Q E -A 303 0A 64 294,-0.2 2,-0.4 -2,-0.2 294,-0.2 -0.952 19.6-168.0-129.9 142.1 22.9 52.9 6.5 10 4 A I E -A 302 0A 0 292,-1.9 292,-3.0 -2,-0.4 2,-0.7 -0.990 16.8-145.5-126.6 120.5 24.4 50.0 8.3 11 5 A H E +AB 301 27A 51 16,-2.0 15,-2.7 -2,-0.4 16,-1.3 -0.769 28.8 172.2 -89.9 118.5 23.8 46.5 7.0 12 6 A V E -AB 300 25A 0 288,-2.5 288,-2.7 -2,-0.7 2,-0.5 -0.924 29.9-150.7-125.8 151.1 23.5 43.9 9.8 13 7 A I E -AB 299 24A 10 11,-2.3 11,-2.9 -2,-0.3 2,-0.4 -0.991 20.9-158.0-114.9 116.4 22.6 40.3 10.2 14 8 A D E +AB 298 23A 20 284,-2.4 283,-3.0 -2,-0.5 284,-1.7 -0.780 22.2 156.7 -93.8 141.9 21.1 39.6 13.6 15 9 A S E -AB 296 22A 0 7,-2.4 7,-2.3 -2,-0.4 2,-0.3 -0.859 29.2-132.5-146.3 175.2 21.2 36.1 15.0 16 10 A H E -AB 295 21A 57 279,-1.9 279,-2.3 5,-0.3 2,-0.6 -0.995 1.2-151.3-137.0 149.6 21.1 34.4 18.4 17 11 A T E > S-AB 294 20A 0 3,-2.4 3,-1.8 -2,-0.3 277,-0.2 -0.947 87.7 -30.2-118.0 100.9 23.2 31.7 19.9 18 12 A G T 3 S- 0 0 10 275,-0.7 255,-0.3 -2,-0.6 253,-0.2 0.761 128.6 -45.1 60.0 22.9 21.1 29.8 22.4 19 13 A G T 3 S+ 0 0 29 1,-0.3 -1,-0.3 221,-0.1 221,-0.1 0.240 115.5 112.8 110.0 -12.7 19.1 33.0 23.1 20 14 A E E < -B 17 0A 21 -3,-1.8 -3,-2.4 219,-0.1 -1,-0.3 -0.851 64.4-134.6 -99.2 115.0 22.1 35.3 23.3 21 15 A P E -B 16 0A 30 0, 0.0 45,-1.6 0, 0.0 2,-0.4 -0.409 18.3-164.3 -88.1 146.8 22.0 37.7 20.3 22 16 A T E -Bc 15 66A 0 -7,-2.3 -7,-2.4 43,-0.2 2,-0.6 -0.980 8.1-156.2-124.5 133.9 24.7 38.8 17.9 23 17 A R E -Bc 14 67A 23 43,-2.6 45,-2.7 -2,-0.4 2,-0.7 -0.932 14.8-160.7-110.3 102.1 24.5 41.8 15.6 24 18 A L E -Bc 13 68A 0 -11,-2.9 -11,-2.3 -2,-0.6 2,-0.8 -0.786 7.1-147.8 -90.1 114.5 26.9 41.2 12.7 25 19 A V E +Bc 12 69A 0 43,-3.3 45,-2.3 -2,-0.7 -13,-0.2 -0.723 23.5 170.2 -84.0 112.1 27.8 44.4 10.8 26 20 A M E - 0 0 40 -15,-2.7 2,-0.3 -2,-0.8 -14,-0.2 0.662 64.5 -1.0 -95.6 -19.1 28.5 43.5 7.2 27 21 A K E S+B 11 0A 110 -16,-1.3 -16,-2.0 1,-0.0 -1,-0.3 -0.960 97.3 60.7-166.9 147.4 28.7 47.0 5.7 28 22 A G + 0 0 29 1,-0.5 3,-0.1 -2,-0.3 -19,-0.1 0.143 65.8 112.3 119.0 -15.1 28.5 50.6 6.7 29 23 A F S S- 0 0 25 1,-0.1 -1,-0.5 -4,-0.0 3,-0.1 -0.481 77.3 -85.8 -78.7 159.8 31.2 51.2 9.2 30 24 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.193 49.9 -89.8 -63.1 156.9 34.2 53.4 8.2 31 25 A Q - 0 0 144 -3,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.511 42.9-148.2 -67.7 131.9 37.2 52.1 6.3 32 26 A L - 0 0 25 -2,-0.2 8,-0.1 1,-0.1 -1,-0.0 -0.861 15.1-168.0-105.5 135.9 39.8 50.9 8.8 33 27 A H + 0 0 135 -2,-0.4 -1,-0.1 6,-0.1 7,-0.1 0.412 44.4 128.2-104.2 1.2 43.5 51.2 7.9 34 28 A G - 0 0 10 1,-0.2 -2,-0.1 5,-0.1 6,-0.0 -0.279 52.4-149.9 -58.6 138.8 44.7 49.0 10.8 35 29 A R S S+ 0 0 78 2,-0.0 2,-0.3 39,-0.0 -1,-0.2 0.735 82.3 35.3 -83.1 -23.3 47.0 46.2 9.6 36 30 A S S > S- 0 0 44 1,-0.1 4,-2.2 85,-0.0 5,-0.2 -0.820 87.5-112.3-125.0 165.1 45.9 44.0 12.4 37 31 A M H > S+ 0 0 3 83,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.835 117.0 56.8 -66.6 -33.0 42.6 43.5 14.3 38 32 A A H > S+ 0 0 32 82,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.923 109.7 44.7 -63.0 -44.2 44.1 45.0 17.4 39 33 A E H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.898 113.9 49.9 -64.6 -41.5 45.0 48.2 15.5 40 34 A Q H X S+ 0 0 17 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.889 109.7 51.2 -65.3 -39.4 41.5 48.2 13.9 41 35 A R H X S+ 0 0 37 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.918 111.3 48.0 -62.1 -43.3 39.8 47.8 17.2 42 36 A D H X S+ 0 0 61 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.894 109.6 53.7 -62.6 -41.0 41.8 50.7 18.5 43 37 A E H X>S+ 0 0 25 -4,-2.4 4,-3.5 1,-0.2 5,-0.9 0.938 110.3 46.8 -57.9 -48.5 40.9 52.7 15.4 44 38 A L H X5S+ 0 0 0 -4,-2.6 4,-1.2 3,-0.2 -2,-0.2 0.926 114.8 45.3 -58.7 -51.3 37.2 52.0 16.1 45 39 A R H <5S+ 0 0 130 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.903 125.8 31.1 -58.7 -44.9 37.4 52.9 19.8 46 40 A E H <5S+ 0 0 143 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.810 134.1 20.3 -88.2 -37.6 39.4 56.1 19.2 47 41 A L H <5S+ 0 0 110 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.1 0.616 132.9 25.7-110.6 -19.1 38.3 57.4 15.8 48 42 A H >X< + 0 0 43 -4,-1.2 3,-1.5 -5,-0.9 4,-0.5 -0.017 65.1 134.8-142.2 33.9 35.0 55.9 15.1 49 43 A D H 3> + 0 0 31 -4,-0.3 4,-2.0 1,-0.3 5,-0.2 0.695 62.4 77.1 -68.9 -17.6 33.1 55.0 18.3 50 44 A R H 3> S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.812 88.5 60.1 -59.8 -27.4 29.8 56.5 17.1 51 45 A W H <> S+ 0 0 20 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.952 104.7 45.9 -69.9 -48.9 29.3 53.4 15.0 52 46 A R H X S+ 0 0 17 -4,-0.5 4,-2.0 1,-0.2 5,-0.3 0.937 114.8 50.6 -50.3 -49.9 29.3 50.9 17.9 53 47 A R H X S+ 0 0 81 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.914 105.4 53.2 -64.7 -40.1 27.0 53.3 19.8 54 48 A A H < S+ 0 0 0 -4,-2.6 6,-0.3 1,-0.2 -1,-0.3 0.862 117.4 40.7 -58.4 -35.7 24.5 53.6 17.0 55 49 A C H < S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.760 127.3 26.8 -83.1 -30.3 24.3 49.8 16.9 56 50 A L H < S+ 0 0 0 -4,-2.0 31,-0.2 5,-0.2 -3,-0.2 0.707 101.1 77.2-114.2 -31.2 24.4 48.9 20.6 57 51 A L S X S- 0 0 31 -4,-2.1 4,-2.5 -5,-0.3 3,-0.5 -0.377 92.4 -52.7 -70.8 165.2 23.0 51.8 22.6 58 52 A E T 4 S+ 0 0 117 256,-0.4 256,-2.7 1,-0.3 -1,-0.1 -0.419 115.3 35.5 -63.0 152.6 19.2 52.3 22.8 59 53 A P T 4 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -5,-0.1 -0.993 131.2 28.1 -86.5 -14.5 17.1 52.6 20.7 60 54 A R T 4 S+ 0 0 47 -3,-0.5 -2,-0.2 -6,-0.3 2,-0.1 0.770 124.9 36.7 -78.2 -28.9 18.6 50.1 18.2 61 55 A G < - 0 0 8 -4,-2.5 2,-0.3 -8,-0.2 -5,-0.2 -0.371 64.1-159.5-111.9-168.5 20.4 48.0 20.8 62 56 A N - 0 0 68 -6,-0.2 3,-0.3 -2,-0.1 25,-0.3 -0.918 40.5 -85.1-163.4 178.8 19.9 46.7 24.3 63 57 A D S S+ 0 0 131 -2,-0.3 24,-0.1 1,-0.2 25,-0.1 0.717 120.0 51.0 -74.6 -21.5 21.9 45.3 27.3 64 58 A V S S+ 0 0 32 22,-0.1 -1,-0.2 2,-0.0 175,-0.1 0.738 89.1 101.9 -87.1 -23.2 22.0 41.7 26.0 65 59 A L - 0 0 5 -3,-0.3 22,-0.4 -9,-0.1 2,-0.4 -0.271 48.9-165.6 -71.9 144.1 23.3 42.3 22.5 66 60 A V E -c 22 0A 11 -45,-1.6 -43,-2.6 20,-0.1 2,-0.3 -0.988 12.5-149.6-119.5 134.7 26.8 41.9 21.3 67 61 A G E -cD 23 85A 0 18,-3.1 18,-2.2 -2,-0.4 2,-0.4 -0.757 7.6-163.8 -99.0 156.3 27.9 43.4 18.0 68 62 A A E -cD 24 84A 0 -45,-2.7 -43,-3.3 -2,-0.3 2,-0.7 -0.986 10.6-146.1-141.3 122.8 30.5 42.1 15.7 69 63 A L E -cD 25 83A 11 14,-2.8 14,-1.2 -2,-0.4 2,-0.3 -0.846 18.4-137.2 -89.7 118.3 32.2 44.0 12.8 70 64 A Y E - D 0 82A 56 -45,-2.3 12,-0.2 -2,-0.7 10,-0.0 -0.595 28.0-177.4 -69.2 131.1 33.0 41.8 9.9 71 65 A C E - D 0 81A 4 10,-2.2 10,-2.7 -2,-0.3 48,-0.1 -0.972 33.1-103.4-129.7 144.8 36.5 42.5 8.5 72 66 A P - 0 0 92 0, 0.0 8,-0.2 0, 0.0 7,-0.1 -0.363 58.7 -87.9 -57.4 149.7 38.4 41.2 5.5 73 67 A P + 0 0 63 0, 0.0 8,-0.1 0, 0.0 3,-0.1 -0.207 41.8 178.5 -63.1 151.5 41.1 38.7 6.8 74 68 A V + 0 0 65 6,-0.2 2,-0.3 1,-0.1 7,-0.1 0.596 64.4 74.0-125.2 -35.6 44.5 39.8 7.8 75 69 A S S > S- 0 0 44 1,-0.1 3,-2.2 5,-0.1 -1,-0.1 -0.711 88.9-124.7 -74.1 140.2 46.3 36.6 8.9 76 70 A A T 3 S+ 0 0 115 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.804 107.6 52.9 -59.1 -36.8 47.1 34.7 5.8 77 71 A D T 3 S+ 0 0 70 39,-0.0 40,-0.5 41,-0.0 -1,-0.3 0.578 91.5 110.8 -68.1 -15.3 45.2 31.6 7.0 78 72 A A < - 0 0 14 -3,-2.2 40,-0.2 1,-0.1 3,-0.1 -0.360 57.0-156.7 -96.1 149.4 41.9 33.4 7.8 79 73 A T S S- 0 0 39 38,-3.0 2,-0.3 1,-0.3 39,-0.2 0.865 82.3 -40.0 -72.7 -41.7 38.4 33.4 6.6 80 74 A C E - e 0 118A 0 37,-0.8 39,-2.8 -8,-0.2 2,-0.3 -0.963 55.5-106.6-166.6 177.6 37.9 36.9 8.1 81 75 A G E -De 71 119A 0 -10,-2.7 -10,-2.2 -2,-0.3 2,-0.3 -0.810 29.4-164.1-112.6 163.2 38.6 39.1 11.0 82 76 A V E -D 70 0A 0 37,-2.2 2,-0.4 -2,-0.3 -12,-0.2 -0.995 13.2-162.3-148.2 146.8 36.1 40.2 13.6 83 77 A I E -D 69 0A 0 -14,-1.2 -14,-2.8 -2,-0.3 2,-0.3 -0.996 18.0-154.9-128.4 122.5 35.9 42.9 16.3 84 78 A F E +D 68 0A 1 -2,-0.4 7,-2.1 8,-0.4 2,-0.3 -0.694 19.6 161.1 -98.5 151.4 33.3 42.4 19.1 85 79 A F E -DF 67 90A 0 -18,-2.2 -18,-3.1 5,-0.3 5,-0.2 -0.980 16.7-163.6-158.7 163.6 31.6 45.1 21.2 86 80 A N - 0 0 40 3,-2.8 -30,-0.1 -2,-0.3 -20,-0.1 -0.675 52.3 -70.7-137.1-166.6 28.6 45.8 23.4 87 81 A N S S+ 0 0 49 -22,-0.4 3,-0.1 -25,-0.3 -29,-0.1 0.538 129.3 42.2 -73.4 -0.3 26.9 48.8 24.8 88 82 A A S S- 0 0 78 1,-0.3 2,-0.3 -25,-0.1 -1,-0.2 0.709 122.1 -62.5-111.1 -30.2 29.7 49.6 27.1 89 83 A G S S- 0 0 5 -37,-0.1 -3,-2.8 -3,-0.0 2,-0.3 -0.929 70.5 -33.8 173.9-156.4 32.9 49.1 25.0 90 84 A Y B -F 85 0A 21 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.2 -0.753 43.3-155.0-103.6 144.4 34.9 46.6 23.1 91 85 A L - 0 0 50 -7,-2.1 -7,-0.3 -2,-0.3 3,-0.1 -0.438 9.0-146.8-102.2 176.2 35.4 42.9 23.9 92 86 A N S S+ 0 0 77 1,-0.6 -8,-0.4 -2,-0.2 2,-0.2 0.648 77.7 8.0-105.1 -74.8 38.2 40.7 22.9 93 87 A M - 0 0 91 27,-0.1 -1,-0.6 28,-0.1 2,-0.2 -0.667 58.2-176.6-102.1 160.8 36.8 37.3 22.4 94 88 A C > - 0 0 12 -2,-0.2 4,-1.8 -3,-0.1 5,-0.2 -0.710 7.6-170.1-156.7 101.0 33.2 36.3 22.3 95 89 A G H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.934 90.0 44.4 -63.2 -48.4 32.4 32.6 21.9 96 90 A H H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 114.2 51.6 -65.4 -31.9 28.6 33.0 21.3 97 91 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.801 106.7 53.8 -72.7 -31.0 29.3 35.8 18.9 98 92 A T H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.898 107.4 50.2 -70.9 -41.1 31.8 33.7 17.0 99 93 A I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.935 112.0 49.3 -59.4 -45.9 29.1 31.0 16.6 100 94 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.926 111.1 49.9 -56.1 -47.0 26.8 33.8 15.4 101 95 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.950 112.4 45.4 -55.2 -53.8 29.5 35.0 13.0 102 96 A V H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.923 113.7 48.2 -65.6 -42.7 30.2 31.6 11.5 103 97 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.907 113.4 49.3 -61.2 -43.8 26.5 30.7 11.1 104 98 A S H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.918 108.4 51.5 -61.8 -45.7 25.8 34.0 9.4 105 99 A L H <>S+ 0 0 3 -4,-2.7 5,-2.5 1,-0.2 6,-0.9 0.873 108.8 53.2 -61.0 -35.0 28.7 33.8 7.0 106 100 A Q H ><5S+ 0 0 47 -4,-1.9 3,-1.4 4,-0.2 -1,-0.2 0.956 110.5 45.5 -65.2 -47.7 27.5 30.3 6.0 107 101 A H H 3<5S+ 0 0 118 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.814 108.4 56.4 -69.6 -27.1 24.0 31.6 5.2 108 102 A L T 3<5S- 0 0 42 -4,-2.2 363,-0.6 -5,-0.2 -1,-0.3 0.563 117.9-114.1 -76.6 -8.1 25.4 34.6 3.3 109 103 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.627 84.8 117.9 86.2 16.9 27.3 32.1 1.1 110 104 A L S - G 0 123A 10 3,-1.1 3,-1.9 -2,-0.3 -82,-0.3 -0.839 47.7 -96.9-131.5 171.1 40.7 38.7 16.4 121 115 A P T 3 S+ 0 0 13 0, 0.0 3,-0.1 0, 0.0 -28,-0.1 0.610 125.6 42.2 -66.6 -9.7 42.3 41.6 18.4 122 116 A V T 3 S- 0 0 73 1,-0.5 2,-0.3 -30,-0.2 -29,-0.1 0.019 125.1 -93.1-123.8 26.5 44.0 39.0 20.6 123 117 A G E < S-G 120 0A 36 -3,-1.9 -3,-1.1 2,-0.0 -1,-0.5 -0.655 74.6 -6.0 99.6-150.0 45.0 36.6 17.9 124 118 A Q E -G 119 0A 81 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.472 34.7-171.8 -99.4 155.8 43.1 33.6 16.8 125 119 A V E -G 118 0A 11 -7,-1.3 -7,-1.4 -2,-0.2 2,-0.5 -0.994 23.8-143.7-124.8 127.9 40.0 31.7 17.6 126 120 A S E -G 117 0A 55 -2,-0.4 12,-1.5 12,-0.2 2,-0.4 -0.850 19.5-175.2 -99.0 131.8 39.6 28.4 15.7 127 121 A A E -GH 116 137A 0 -11,-2.1 -11,-2.6 -2,-0.5 2,-0.6 -0.986 14.7-152.1-132.1 131.0 36.0 27.4 14.7 128 122 A T E -GH 115 136A 42 8,-2.6 8,-2.4 -2,-0.4 2,-0.8 -0.884 4.8-156.2-104.4 118.7 34.7 24.3 13.1 129 123 A L E -GH 114 135A 3 -15,-2.8 -15,-2.3 -2,-0.6 6,-0.2 -0.861 20.8-148.6 -88.6 110.1 31.5 24.5 11.0 130 124 A H > - 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