==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-FEB-09 3GBD . COMPND 2 MOLECULE: SUCROSE ISOMERASE SMUA FROM PROTAMINOBACTER . SOURCE 2 ORGANISM_SCIENTIFIC: PROTAMINOBACTER RUBRUM; . AUTHOR S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 558 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 33 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 3 2 1 1 2 0 1 2 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 4 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 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 16 A T 0 0 131 0, 0.0 315,-0.1 0, 0.0 314,-0.0 0.000 360.0 360.0 360.0 121.7 24.9 14.8 60.8 2 17 A I - 0 0 79 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.943 360.0-120.4-113.3 131.1 25.8 17.9 62.8 3 18 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.413 33.1 176.1 -70.3 139.3 23.1 19.8 64.7 4 19 A K >> - 0 0 90 -2,-0.1 3,-1.9 1,-0.1 4,-1.4 -0.994 37.1-131.0-143.7 136.5 22.6 23.5 63.8 5 20 A W H 3> S+ 0 0 53 -2,-0.3 4,-1.9 1,-0.3 3,-0.2 0.863 109.3 57.3 -55.8 -34.0 20.0 25.9 65.2 6 21 A W H 34 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.582 101.7 53.3 -77.1 -8.7 19.2 26.9 61.6 7 22 A K H <4 S+ 0 0 13 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.758 117.4 37.8 -90.4 -28.4 18.4 23.4 60.5 8 23 A E H < S+ 0 0 83 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.1 0.676 96.1 104.2 -93.2 -21.6 15.9 23.0 63.4 9 24 A A < - 0 0 6 -4,-1.9 2,-0.7 -5,-0.2 36,-0.1 -0.262 65.0-137.5 -67.1 147.7 14.5 26.5 63.3 10 25 A V - 0 0 0 34,-0.2 36,-2.3 350,-0.1 37,-1.4 -0.937 26.5-155.7-104.0 112.5 11.1 27.4 61.9 11 26 A F E -ab 47 362A 1 350,-2.3 352,-2.9 -2,-0.7 2,-0.4 -0.615 9.2-160.3 -90.5 152.7 11.5 30.6 59.9 12 27 A Y E -ab 48 363A 0 35,-1.9 37,-2.2 -2,-0.2 2,-0.6 -0.999 14.0-140.4-132.2 125.3 8.8 33.1 59.1 13 28 A Q E -ab 49 364A 3 350,-3.3 352,-2.3 -2,-0.4 2,-0.5 -0.797 13.6-163.3 -95.9 126.4 9.3 35.5 56.2 14 29 A V E -a 50 0A 0 35,-2.7 37,-1.8 -2,-0.6 3,-0.1 -0.923 11.3-159.1-109.4 127.2 8.0 39.1 56.7 15 30 A Y > - 0 0 4 -2,-0.5 3,-2.2 35,-0.2 4,-0.4 -0.874 16.6-156.2-100.9 94.1 7.5 41.4 53.6 16 31 A P G >> S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.835 85.0 61.9 -40.7 -48.8 7.7 44.7 55.6 17 32 A R G 34 S+ 0 0 28 1,-0.3 11,-2.6 10,-0.1 420,-0.2 0.763 117.3 28.0 -51.8 -32.1 5.8 46.6 53.0 18 33 A S G <4 S+ 0 0 0 -3,-2.2 403,-2.7 9,-0.2 -1,-0.3 0.137 103.1 79.0-122.8 22.0 2.7 44.5 53.5 19 34 A F T <4 S- 0 0 0 -3,-1.6 2,-0.3 -4,-0.4 -2,-0.1 0.922 104.6 -20.1 -91.6 -68.8 2.9 43.2 57.1 20 35 A K < - 0 0 28 -4,-0.6 9,-2.3 9,-0.2 2,-0.5 -0.930 50.9-154.9-150.8 121.6 1.7 46.0 59.5 21 36 A D + 0 0 4 410,-2.4 7,-0.2 -2,-0.3 412,-0.1 -0.812 13.2 176.3 -94.8 130.2 1.4 49.7 59.0 22 37 A T S S+ 0 0 50 -2,-0.5 -1,-0.1 5,-0.4 6,-0.1 0.487 72.7 47.6-113.2 -3.9 1.6 51.8 62.3 23 38 A N S S- 0 0 96 4,-0.3 -1,-0.1 0, 0.0 409,-0.1 0.158 104.1-111.1-123.9 21.0 1.5 55.4 61.1 24 39 A G S S+ 0 0 26 1,-0.1 411,-0.4 410,-0.1 408,-0.1 0.625 82.7 116.1 65.6 19.3 -1.3 55.4 58.6 25 40 A D S S- 0 0 75 2,-0.3 -1,-0.1 409,-0.2 3,-0.1 0.394 86.6-111.7 -98.5 5.4 0.5 56.0 55.3 26 41 A G S S+ 0 0 0 1,-0.2 411,-2.2 410,-0.1 2,-0.5 0.462 83.7 111.3 82.1 3.5 -0.6 52.6 54.0 27 42 A I - 0 0 21 409,-0.2 -5,-0.4 410,-0.1 -4,-0.3 -0.943 69.8-120.2-117.2 125.1 2.9 51.1 54.1 28 43 A G - 0 0 0 -11,-2.6 -7,-0.3 -2,-0.5 2,-0.3 -0.232 39.2-174.1 -56.9 148.9 4.1 48.4 56.5 29 44 A D > - 0 0 2 -9,-2.3 4,-1.5 1,-0.1 3,-0.4 -0.865 39.1 -97.4-142.5 174.1 6.9 49.4 58.8 30 45 A I H > S+ 0 0 2 45,-2.9 4,-2.4 -2,-0.3 5,-0.2 0.873 119.2 56.8 -65.6 -37.2 9.4 48.1 61.4 31 46 A N H > S+ 0 0 55 44,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.845 104.5 55.7 -62.9 -29.6 7.3 49.3 64.3 32 47 A G H > S+ 0 0 0 -3,-0.4 4,-1.0 -12,-0.4 -1,-0.2 0.926 106.6 48.6 -67.3 -42.3 4.5 47.2 62.9 33 48 A I H >< S+ 0 0 1 -4,-1.5 3,-0.9 -13,-0.2 4,-0.2 0.937 111.9 49.2 -61.0 -46.8 6.8 44.1 62.9 34 49 A I H >< S+ 0 0 28 -4,-2.4 3,-1.4 1,-0.3 4,-0.3 0.902 105.8 58.0 -58.7 -41.8 7.7 44.8 66.6 35 50 A E H 3< S+ 0 0 99 -4,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.765 110.3 44.2 -59.9 -25.9 4.1 45.2 67.4 36 51 A K T S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.822 81.4 53.4 -63.7 -28.7 6.3 39.8 67.7 38 53 A D H > S+ 0 0 103 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.862 106.9 52.7 -72.7 -34.7 4.1 38.3 70.4 39 54 A Y H > S+ 0 0 29 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.922 112.1 44.6 -62.9 -47.1 1.8 37.0 67.7 40 55 A L H X>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 4,-1.7 0.868 111.8 53.2 -66.6 -36.6 4.7 35.3 65.9 41 56 A K H <5S+ 0 0 81 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.855 107.9 50.3 -66.9 -34.8 6.0 34.0 69.3 42 57 A A H <5S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.2 54.9 -68.9 -35.5 2.6 32.4 70.0 43 58 A L H <5S- 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.877 119.1-117.3 -62.5 -37.9 2.7 30.9 66.5 44 59 A G T <5 + 0 0 20 -4,-1.7 -34,-0.2 1,-0.2 -3,-0.2 0.509 51.7 165.6 111.5 8.5 6.0 29.4 67.5 45 60 A I < - 0 0 1 -5,-1.8 -1,-0.2 1,-0.1 -34,-0.2 -0.277 22.2-168.7 -58.4 134.4 8.4 31.0 65.1 46 61 A D + 0 0 48 -36,-2.3 48,-1.8 1,-0.3 2,-0.3 0.717 69.8 12.1 -95.4 -29.1 12.2 30.8 65.9 47 62 A A E -ac 11 94A 1 -37,-1.4 -35,-1.9 46,-0.2 2,-0.4 -0.999 61.1-143.5-152.1 151.7 13.5 33.3 63.3 48 63 A I E -ac 12 95A 0 46,-2.1 48,-3.0 -2,-0.3 2,-0.5 -0.953 5.2-161.3-118.9 132.0 12.3 36.0 61.0 49 64 A W E -ac 13 96A 1 -37,-2.2 -35,-2.7 -2,-0.4 2,-0.4 -0.962 15.5-162.5-109.5 124.2 13.6 36.8 57.5 50 65 A I E -ac 14 97A 1 46,-2.2 48,-0.7 -2,-0.5 -35,-0.2 -0.872 17.2-122.7-108.6 142.1 12.7 40.3 56.3 51 66 A N - 0 0 3 -37,-1.8 47,-0.1 -2,-0.4 11,-0.1 -0.203 67.1 -39.4 -69.7 172.0 12.8 41.4 52.7 52 67 A P + 0 0 1 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.021 53.6 176.0 -41.4 124.5 15.0 44.5 51.9 53 68 A H + 0 0 1 45,-0.2 19,-3.0 -3,-0.2 22,-0.1 0.246 42.7 112.8-113.1 6.9 14.7 47.2 54.6 54 69 A Y E S-H 71 0B 3 17,-0.3 17,-0.3 8,-0.2 14,-0.1 -0.409 82.9 -74.5 -86.4 159.5 17.3 49.6 53.1 55 70 A D E +H 67 0B 16 15,-2.2 11,-2.5 12,-0.8 12,-1.4 -0.251 68.1 163.9 -50.6 122.4 16.8 53.1 51.5 56 71 A S - 0 0 4 9,-0.2 9,-0.2 10,-0.2 17,-0.1 -0.999 53.7-138.3-152.5 144.0 15.3 52.5 48.1 57 72 A P - 0 0 38 0, 0.0 4,-0.1 0, 0.0 8,-0.1 0.605 51.2-132.0 -72.0 -10.8 13.4 54.3 45.2 58 73 A N > + 0 0 25 6,-0.6 3,-0.8 2,-0.1 7,-0.1 0.825 60.8 143.2 62.8 36.6 11.3 51.1 45.2 59 74 A T T 3 S+ 0 0 44 1,-0.3 326,-0.3 5,-0.2 -1,-0.1 0.873 95.6 21.2 -67.2 -33.0 11.3 50.4 41.5 60 75 A D T > S- 0 0 9 106,-0.1 3,-2.0 4,-0.1 -1,-0.3 -0.271 122.1-101.2-127.8 42.0 11.5 46.8 42.7 61 76 A N T < S- 0 0 14 -3,-0.8 -44,-0.1 1,-0.3 -2,-0.0 0.849 94.3 -24.0 37.4 62.4 10.1 47.3 46.2 62 77 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.2 0.096 117.1 95.3 101.4 -23.7 13.4 47.2 48.1 63 78 A Y S < S+ 0 0 5 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.409 73.8 69.6 -84.2 3.6 15.5 45.3 45.8 64 79 A D S S- 0 0 0 -12,-0.1 -6,-0.6 40,-0.0 2,-0.5 -0.872 80.3-158.5-119.4 92.8 16.9 48.4 44.2 65 80 A I + 0 0 0 -2,-0.6 40,-2.5 38,-0.2 -9,-0.2 -0.626 25.0 176.7 -84.0 120.8 19.1 49.9 46.9 66 81 A R S S+ 0 0 84 -11,-2.5 43,-0.8 -2,-0.5 2,-0.3 0.825 82.0 13.6 -87.4 -34.6 20.0 53.6 47.0 67 82 A D E > -H 55 0B 56 -12,-1.4 3,-1.1 3,-0.2 -12,-0.8 -0.902 58.5-164.8-147.2 111.5 21.9 53.5 50.3 68 83 A Y E 3 S+ 0 0 10 -2,-0.3 -1,-0.1 1,-0.2 -12,-0.0 0.645 91.2 52.7 -69.9 -17.3 23.0 50.2 52.0 69 84 A R E 3 S+ 0 0 115 2,-0.1 2,-0.4 -15,-0.0 -1,-0.2 0.316 98.9 76.3-101.6 9.6 23.7 51.9 55.4 70 85 A K E < S- 0 0 114 -3,-1.1 -15,-2.2 -15,-0.1 2,-0.2 -0.927 77.9-119.8-124.1 145.4 20.3 53.7 55.7 71 86 A I E -H 54 0B 10 -2,-0.4 -17,-0.3 -17,-0.3 2,-0.1 -0.573 42.9 -97.4 -78.5 141.4 16.8 52.4 56.7 72 87 A M >> - 0 0 0 -19,-3.0 3,-1.8 -2,-0.2 4,-1.1 -0.395 33.3-127.7 -60.0 127.6 14.1 52.8 54.1 73 88 A K G >4 S+ 0 0 73 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.878 106.5 52.0 -41.6 -54.8 12.2 56.0 55.0 74 89 A E G 34 S+ 0 0 64 1,-0.2 -1,-0.3 -45,-0.1 -49,-0.1 0.680 108.5 52.2 -59.2 -24.2 8.8 54.3 55.0 75 90 A Y G <4 S- 0 0 5 -3,-1.8 -45,-2.9 1,-0.3 -44,-0.5 0.670 111.3-109.3 -89.8 -21.1 9.9 51.5 57.3 76 91 A G << - 0 0 22 -4,-1.1 -1,-0.3 -3,-0.9 2,-0.2 -0.926 42.2 -40.8 134.0-154.8 11.4 53.6 60.1 77 92 A T > - 0 0 68 -2,-0.3 4,-2.0 -3,-0.1 5,-0.1 -0.601 48.2-105.5-113.3 172.6 14.7 54.5 61.7 78 93 A M H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.850 124.5 59.7 -64.2 -29.8 18.0 52.8 62.6 79 94 A E H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 102.9 48.1 -60.9 -48.0 16.5 53.1 66.1 80 95 A D H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 111.0 52.8 -61.5 -41.3 13.5 51.1 65.2 81 96 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 109.5 46.4 -62.2 -46.1 15.8 48.5 63.6 82 97 A D H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.864 111.7 52.6 -66.6 -33.7 17.9 48.1 66.6 83 98 A R H X S+ 0 0 99 -4,-2.0 4,-3.5 2,-0.2 5,-0.3 0.895 105.9 54.3 -67.6 -39.2 14.8 47.8 68.8 84 99 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.945 108.6 48.6 -60.0 -46.9 13.5 45.0 66.5 85 100 A I H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.939 115.6 45.1 -58.9 -43.5 16.7 43.1 67.0 86 101 A S H X S+ 0 0 56 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.891 111.3 49.6 -67.9 -43.5 16.4 43.6 70.8 87 102 A E H X S+ 0 0 39 -4,-3.5 4,-0.8 1,-0.2 -1,-0.2 0.849 113.9 49.0 -65.3 -31.2 12.7 42.8 71.1 88 103 A M H ><>S+ 0 0 2 -4,-2.2 5,-2.2 -5,-0.3 3,-0.9 0.935 107.5 52.6 -71.5 -46.6 13.4 39.6 69.1 89 104 A K H ><5S+ 0 0 160 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.892 104.8 57.6 -54.5 -41.3 16.4 38.6 71.2 90 105 A K H 3<5S+ 0 0 141 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.828 109.6 44.8 -57.1 -35.3 14.1 39.0 74.3 91 106 A R T <<5S- 0 0 45 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.216 119.3-110.6 -97.0 15.5 11.8 36.5 72.7 92 107 A N T < 5S+ 0 0 126 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.889 73.0 139.5 58.8 40.7 14.7 34.1 71.7 93 108 A M < - 0 0 7 -5,-2.2 2,-0.4 -8,-0.2 -46,-0.2 -0.915 43.4-142.5-117.1 145.4 14.2 34.9 68.0 94 109 A R E -c 47 0A 94 -48,-1.8 -46,-2.1 -2,-0.4 2,-0.4 -0.875 11.7-136.1-111.0 139.9 16.9 35.5 65.4 95 110 A L E -c 48 0A 5 -2,-0.4 99,-1.8 97,-0.3 100,-1.4 -0.795 14.3-169.9 -99.3 133.4 16.7 38.0 62.6 96 111 A M E -cd 49 195A 1 -48,-3.0 -46,-2.2 -2,-0.4 2,-0.3 -0.964 10.9-160.1-117.4 131.3 17.8 37.3 59.0 97 112 A I E -cd 50 196A 1 98,-2.2 100,-2.7 -2,-0.4 2,-0.5 -0.764 22.4-107.6-112.4 161.7 18.1 40.2 56.5 98 113 A D E - d 0 197A 0 -48,-0.7 2,-0.7 -2,-0.3 -45,-0.2 -0.750 25.5-156.4 -88.7 126.1 18.0 40.2 52.7 99 114 A V E - d 0 198A 2 98,-3.0 100,-2.5 -2,-0.5 2,-0.8 -0.910 10.1-175.8-106.4 112.7 21.4 40.9 51.1 100 115 A V + 0 0 0 -2,-0.7 -35,-0.2 98,-0.2 100,-0.1 -0.808 28.3 137.0-111.6 88.4 21.0 42.4 47.6 101 116 A I + 0 0 0 -2,-0.8 -1,-0.1 98,-0.4 69,-0.1 0.200 45.5 86.2-121.9 17.5 24.5 42.7 46.1 102 117 A N S S- 0 0 0 1,-0.2 68,-2.3 97,-0.2 2,-0.3 0.797 111.7 -7.3 -79.6 -28.4 24.2 41.5 42.5 103 118 A H B -I 169 0C 2 66,-0.3 2,-0.3 -40,-0.1 66,-0.2 -0.912 65.4-143.2-154.8 173.6 23.1 45.1 41.7 104 119 A T - 0 0 0 64,-1.8 -38,-0.2 -2,-0.3 2,-0.1 -0.829 39.5 -78.3-137.0 175.4 22.2 48.4 43.2 105 120 A S > - 0 0 0 -40,-2.5 3,-1.4 -2,-0.3 6,-0.3 -0.418 37.9-123.2 -71.4 155.5 19.7 51.2 42.5 106 121 A D T 3 S+ 0 0 40 60,-1.2 -1,-0.1 1,-0.3 61,-0.1 0.444 115.6 60.4 -79.5 3.0 20.8 53.5 39.7 107 122 A Q T 3 S+ 0 0 90 59,-0.3 -1,-0.3 4,-0.1 -41,-0.1 0.367 77.9 121.4-103.5 -0.0 20.5 56.3 42.4 108 123 A N S X> S- 0 0 7 -3,-1.4 4,-2.6 1,-0.1 3,-0.7 -0.406 75.8-120.4 -63.8 139.9 23.1 54.5 44.5 109 124 A E H 3> S+ 0 0 116 -43,-0.8 4,-2.3 1,-0.3 5,-0.3 0.866 112.3 55.9 -50.5 -42.1 26.0 56.9 45.1 110 125 A W H 3> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.893 112.0 42.2 -60.5 -39.4 28.4 54.5 43.4 111 126 A F H <> S+ 0 0 3 -3,-0.7 4,-2.8 -6,-0.3 5,-0.2 0.881 108.7 57.3 -75.7 -38.1 26.4 54.5 40.2 112 127 A V H X S+ 0 0 71 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.942 116.5 37.7 -55.9 -44.5 25.7 58.2 40.3 113 128 A K H >X S+ 0 0 71 -4,-2.3 3,-0.9 -5,-0.2 4,-0.5 0.911 113.1 58.5 -72.0 -41.7 29.5 58.6 40.2 114 129 A S H >< S+ 0 0 0 -4,-2.5 3,-0.5 -5,-0.3 6,-0.2 0.872 108.3 43.6 -55.7 -42.6 30.0 55.7 37.9 115 130 A K H 3< S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.600 93.3 84.9 -81.9 -10.4 27.9 57.2 35.1 116 131 A S H << S- 0 0 43 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 0.796 106.3 -16.8 -63.2 -33.2 29.4 60.7 35.4 117 132 A S X< - 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