==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 19-AUG-08 2W0M . COMPND 2 MOLECULE: SSO2452; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR A.MCROBBIE,L.CARTER,K.A.JOHNSON,M.KEROU,H.LIU,S.MCMAHON,M.OK . 220 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 12.3 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 2 0 0 0 0 0 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 0 223 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.5 49.5 37.1 27.3 2 2 A V - 0 0 53 194,-0.1 2,-0.4 19,-0.0 194,-0.0 -0.938 360.0-106.9-120.6 153.9 46.5 36.7 29.5 3 3 A S - 0 0 61 -2,-0.3 19,-3.3 19,-0.1 2,-0.4 -0.644 42.4-162.7 -75.0 124.7 46.1 36.6 33.3 4 4 A R E -A 21 0A 50 -2,-0.4 2,-0.5 17,-0.3 16,-0.1 -0.905 14.0-146.3-120.6 138.2 45.3 33.0 34.2 5 5 A L E -A 20 0A 4 15,-3.1 15,-2.8 -2,-0.4 42,-0.1 -0.903 28.4-116.5-103.9 127.3 43.9 31.5 37.4 6 6 A S - 0 0 24 -2,-0.5 13,-0.1 13,-0.2 41,-0.1 -0.284 7.3-141.5 -61.8 141.9 45.0 28.1 38.5 7 7 A T - 0 0 0 2,-0.3 39,-0.2 11,-0.1 -1,-0.1 0.618 44.6-112.2 -74.4 -14.1 42.5 25.3 38.6 8 8 A G S S+ 0 0 19 1,-0.1 2,-0.5 35,-0.1 -2,-0.1 0.336 97.9 95.4 90.7 -5.4 44.2 24.0 41.7 9 9 A I >> - 0 0 11 1,-0.2 4,-2.3 30,-0.1 3,-1.3 -0.919 59.7-164.5-118.2 102.2 45.3 20.9 39.7 10 10 A L H 3> S+ 0 0 122 -2,-0.5 4,-1.6 1,-0.3 -1,-0.2 0.891 88.9 53.7 -55.8 -45.6 48.8 21.5 38.4 11 11 A D H 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.764 112.0 47.3 -62.3 -23.5 48.7 18.7 35.9 12 12 A F H X4 S+ 0 0 1 -3,-1.3 3,-1.6 2,-0.2 4,-0.4 0.863 103.6 58.9 -85.1 -37.9 45.5 20.2 34.6 13 13 A D H ><>S+ 0 0 11 -4,-2.3 5,-2.9 1,-0.3 3,-1.3 0.814 97.3 64.0 -57.5 -31.1 46.9 23.7 34.4 14 14 A K G ><5S+ 0 0 136 -4,-1.6 3,-0.8 1,-0.3 -1,-0.3 0.801 96.6 58.1 -61.9 -28.6 49.6 22.3 32.1 15 15 A L G < 5S+ 0 0 15 -3,-1.6 185,-2.2 -4,-0.3 -1,-0.3 0.614 112.1 38.3 -81.0 -10.6 46.8 21.5 29.6 16 16 A I G X 5S- 0 0 0 -3,-1.3 3,-1.5 -4,-0.4 -1,-0.2 -0.140 119.1 -94.9-137.7 35.0 45.6 25.1 29.4 17 17 A Q T < 5S- 0 0 115 -3,-0.8 -3,-0.2 1,-0.3 -4,-0.1 0.791 95.2 -33.6 59.1 34.6 48.8 27.1 29.5 18 18 A G T 3 -A 4 0A 2 0, 0.0 3,-2.1 0, 0.0 -17,-0.3 -0.280 41.7-103.5 -54.4 128.8 41.7 33.1 31.7 22 22 A Q T 3 S+ 0 0 75 -19,-3.3 135,-0.1 1,-0.3 -19,-0.1 -0.286 106.3 23.2 -56.5 132.8 40.6 35.7 34.2 23 23 A G T 3 S+ 0 0 12 1,-0.3 -1,-0.3 99,-0.2 133,-0.1 0.361 91.3 140.3 92.9 -4.6 37.0 36.8 33.6 24 24 A F < - 0 0 14 -3,-2.1 134,-3.0 147,-0.1 2,-0.6 -0.341 49.1-140.2 -73.7 152.9 36.0 33.6 31.7 25 25 A F E -b 158 0B 0 132,-0.2 146,-2.4 144,-0.1 147,-1.3 -0.980 25.6-164.3-111.2 113.3 32.7 31.8 32.1 26 26 A I E -bc 159 172B 0 132,-3.3 134,-3.2 -2,-0.6 2,-0.5 -0.906 9.5-148.8-111.8 121.8 33.5 28.0 32.1 27 27 A A E -bc 160 173B 0 145,-2.5 147,-2.9 -2,-0.5 2,-0.6 -0.777 6.4-164.0 -91.9 124.7 30.9 25.4 31.5 28 28 A L E -bc 161 174B 0 132,-2.6 134,-2.1 -2,-0.5 2,-0.3 -0.943 19.4-177.5-108.1 110.9 31.5 22.0 33.3 29 29 A T E +bc 162 175B 8 145,-2.0 147,-2.8 -2,-0.6 2,-0.2 -0.773 19.3 97.9-117.8 152.4 29.3 19.4 31.7 30 30 A G - 0 0 14 132,-1.0 147,-0.1 -2,-0.3 4,-0.1 -0.715 66.3 -59.3 148.2 158.3 28.6 15.8 32.4 31 31 A E S > S- 0 0 117 145,-0.5 3,-0.7 -2,-0.2 2,-0.1 -0.042 71.4 -79.0 -53.2 160.3 26.4 13.2 34.0 32 32 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 131,-0.0 -0.420 116.7 28.0 -62.5 145.1 25.8 13.4 37.8 33 33 A G T 3 S+ 0 0 46 -3,-0.1 -2,-0.1 -2,-0.1 144,-0.0 0.785 81.7 120.3 75.5 33.4 28.7 11.9 39.8 34 34 A T S < S- 0 0 0 -3,-0.7 143,-0.2 -4,-0.1 154,-0.1 0.328 89.9 -93.3-112.2 4.2 31.5 12.7 37.3 35 35 A G S > S+ 0 0 8 141,-0.1 4,-2.7 -5,-0.1 5,-0.2 0.502 84.0 129.0 103.6 7.9 33.6 14.9 39.4 36 36 A K H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.886 76.0 47.5 -67.1 -39.5 32.3 18.3 38.5 37 37 A T H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.953 113.3 48.1 -65.5 -46.3 31.7 19.4 42.1 38 38 A I H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.927 109.0 53.6 -59.2 -45.6 35.2 18.3 43.2 39 39 A F H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.891 111.4 47.6 -55.1 -39.0 36.8 20.0 40.2 40 40 A S H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 3,-0.3 0.867 105.2 56.6 -70.3 -41.0 35.0 23.1 41.4 41 41 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.865 103.8 56.1 -59.8 -36.1 36.1 22.8 45.0 42 42 A H H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.880 106.0 50.8 -59.1 -40.3 39.7 22.7 43.7 43 43 A F H X S+ 0 0 0 -4,-1.0 4,-1.7 -3,-0.3 -2,-0.2 0.880 115.5 41.1 -68.5 -41.4 39.2 26.1 42.0 44 44 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.920 112.1 54.5 -72.4 -46.0 37.8 27.7 45.1 45 45 A A H X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.898 110.9 46.8 -54.9 -42.1 40.3 26.0 47.4 46 46 A K H X S+ 0 0 65 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.908 111.3 51.3 -70.5 -42.7 43.1 27.5 45.3 47 47 A G H X>S+ 0 0 0 -4,-1.7 5,-3.1 2,-0.2 4,-0.8 0.918 109.8 49.7 -55.7 -47.0 41.5 30.9 45.3 48 48 A L H ><5S+ 0 0 6 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.926 111.6 47.5 -62.5 -44.6 41.1 30.9 49.0 49 49 A R H 3<5S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 111.9 52.4 -66.6 -25.9 44.8 29.9 49.5 50 50 A D H 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.585 119.9-111.1 -83.0 -11.8 45.6 32.7 47.0 51 51 A G T <<5 + 0 0 35 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.587 68.0 147.7 88.6 11.3 43.7 35.3 49.0 52 52 A D < - 0 0 14 -5,-3.1 -1,-0.3 -6,-0.2 2,-0.2 -0.555 56.3-110.4 -75.7 138.8 40.9 35.6 46.3 53 53 A P - 0 0 3 0, 0.0 70,-2.3 0, 0.0 2,-0.4 -0.565 43.7-161.5 -64.1 136.8 37.4 36.3 47.3 54 54 A C E -de 85 123B 0 30,-2.8 32,-2.0 -2,-0.2 2,-0.4 -0.973 18.0-174.2-132.7 137.8 35.4 33.1 46.6 55 55 A I E -de 86 124B 0 68,-2.6 70,-2.5 -2,-0.4 2,-0.5 -0.996 3.1-169.6-133.3 127.9 31.7 32.4 46.2 56 56 A Y E -de 87 125B 0 30,-2.2 32,-2.6 -2,-0.4 2,-0.6 -0.972 5.0-163.3-120.0 116.2 30.2 29.0 45.8 57 57 A V E -de 88 126B 0 68,-3.4 70,-3.1 -2,-0.5 2,-0.5 -0.891 9.6-169.1 -99.2 121.1 26.5 28.7 44.9 58 58 A T E +de 89 127B 1 30,-2.8 32,-3.7 -2,-0.6 33,-0.5 -0.934 18.7 168.3-117.7 130.3 25.0 25.2 45.5 59 59 A T S S+ 0 0 11 68,-2.4 69,-0.2 -2,-0.5 -1,-0.1 0.527 79.4 35.6-116.0 -13.7 21.6 24.2 44.2 60 60 A E S S+ 0 0 97 67,-0.6 2,-0.2 2,-0.1 68,-0.1 0.696 116.0 41.9-112.6 -33.5 21.5 20.4 44.8 61 61 A E S S- 0 0 47 1,-0.1 30,-0.3 2,-0.0 29,-0.3 -0.635 84.2 -99.7-113.1 172.8 23.4 20.0 48.1 62 62 A S > - 0 0 37 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.527 30.9-114.6 -88.4 156.3 23.6 21.8 51.4 63 63 A R H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.866 119.7 53.8 -54.6 -37.9 26.3 24.3 52.4 64 64 A D H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 104.6 53.7 -68.2 -36.1 27.4 21.8 55.0 65 65 A S H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 107.9 50.2 -64.1 -41.9 27.7 19.1 52.5 66 66 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.928 112.6 47.5 -59.7 -45.6 30.0 21.3 50.4 67 67 A I H X S+ 0 0 14 -4,-2.1 4,-1.4 1,-0.2 10,-0.3 0.901 112.5 48.5 -64.8 -41.7 32.1 22.0 53.4 68 68 A R H X S+ 0 0 156 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.873 110.4 52.6 -66.1 -37.3 32.2 18.3 54.4 69 69 A Q H >X S+ 0 0 42 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.916 106.6 51.7 -64.8 -44.3 33.2 17.4 50.8 70 70 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.3 3,-1.3 0.840 103.6 58.9 -61.0 -34.1 36.0 19.8 50.8 71 71 A K H ><5S+ 0 0 96 -4,-1.4 3,-1.5 1,-0.3 -1,-0.3 0.766 92.7 68.4 -69.9 -23.1 37.3 18.3 54.1 72 72 A Q H <<5S+ 0 0 99 -4,-0.8 139,-2.2 -3,-0.8 -1,-0.3 0.812 104.7 42.2 -61.4 -29.0 37.6 15.0 52.3 73 73 A F T <<5S- 0 0 11 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 -0.002 126.3 -97.8-115.1 29.0 40.4 16.5 50.2 74 74 A N T < 5S+ 0 0 131 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.724 80.7 136.6 61.7 28.2 42.1 18.3 53.1 75 75 A W < - 0 0 23 -5,-2.4 2,-0.8 -6,-0.1 -1,-0.2 -0.923 40.4-158.2-103.9 130.1 40.5 21.7 52.4 76 76 A D + 0 0 76 -2,-0.5 3,-0.4 1,-0.1 4,-0.1 -0.809 20.8 165.9-113.9 90.8 39.1 23.5 55.4 77 77 A F >> + 0 0 2 -2,-0.8 3,-0.9 -10,-0.3 4,-0.7 0.564 56.0 87.0 -81.4 -10.0 36.5 26.0 54.3 78 78 A E G >4 S+ 0 0 98 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.908 87.6 44.4 -65.3 -44.1 35.1 26.7 57.7 79 79 A E G 34 S+ 0 0 120 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.485 108.4 59.0 -83.6 -1.0 37.4 29.5 58.9 80 80 A Y G X>>S+ 0 0 79 -3,-0.9 4,-2.7 -4,-0.1 3,-2.4 0.610 77.2 123.5 -94.4 -16.5 37.2 31.4 55.5 81 81 A I B <<5S-f 85 0B 44 -3,-0.9 5,-0.2 -4,-0.7 -3,-0.0 -0.201 87.3 -3.9 -58.9 127.4 33.5 31.7 55.8 82 82 A E T 345S+ 0 0 92 3,-3.4 -1,-0.3 1,-0.1 4,-0.1 0.443 129.8 71.0 68.3 2.1 32.3 35.3 55.6 83 83 A K T <45S- 0 0 147 -3,-2.4 -2,-0.2 2,-0.4 -1,-0.1 0.792 129.9 -19.9-104.9 -58.2 36.0 36.4 55.5 84 84 A K T <5S+ 0 0 73 -4,-2.7 -30,-2.8 1,-0.2 2,-0.4 0.363 130.7 57.4-129.5 -4.8 37.1 35.3 52.0 85 85 A L E < -df 54 81B 0 -5,-2.1 -3,-3.4 -32,-0.2 2,-0.4 -0.991 50.5-178.7-132.3 136.0 34.4 32.6 51.2 86 86 A I E -d 55 0B 1 -32,-2.0 -30,-2.2 -2,-0.4 2,-0.6 -0.991 11.1-160.1-128.6 127.0 30.6 32.7 51.0 87 87 A I E -d 56 0B 2 -2,-0.4 2,-0.6 -32,-0.2 -30,-0.2 -0.941 10.0-154.4-103.7 120.3 28.6 29.6 50.2 88 88 A I E -d 57 0B 0 -32,-2.6 -30,-2.8 -2,-0.6 2,-0.7 -0.866 6.0-148.2 -97.8 123.2 25.2 30.4 49.0 89 89 A D E +dg 58 97B 13 7,-2.3 9,-2.1 -2,-0.6 -30,-0.2 -0.807 24.3 170.7 -96.9 109.8 22.7 27.7 49.6 90 90 A A + 0 0 14 -32,-3.7 2,-0.6 -2,-0.7 -31,-0.2 0.344 69.2 78.7-100.4 4.8 20.0 27.5 46.9 91 91 A L 0 0 79 -33,-0.5 -1,-0.2 -30,-0.3 -28,-0.1 -0.658 360.0 360.0-107.8 72.7 18.8 24.3 48.4 92 92 A M 0 0 109 -2,-0.6 -2,-0.1 6,-0.4 5,-0.1 -0.440 360.0 360.0 150.2 360.0 16.8 25.6 51.3 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 97 A D > 0 0 164 0, 0.0 3,-0.6 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 -67.8 20.5 32.2 55.8 95 98 A Q T 3 + 0 0 89 1,-0.2 -7,-0.0 3,-0.0 0, 0.0 0.637 360.0 60.8 -79.8 -19.1 21.1 35.6 54.4 96 99 A W T 3 S+ 0 0 11 -9,-0.1 -7,-2.3 2,-0.1 2,-0.3 -0.214 89.6 103.2 -98.4 40.5 23.3 33.6 52.1 97 100 A S B < -g 89 0B 27 -3,-0.6 2,-0.6 -9,-0.2 -7,-0.2 -0.887 68.7-132.0-117.3 151.6 20.3 31.6 50.9 98 101 A L - 0 0 4 -9,-2.1 -6,-0.4 -2,-0.3 3,-0.1 -0.936 16.8-175.4-101.7 116.9 18.4 31.8 47.7 99 102 A V S S+ 0 0 119 -2,-0.6 2,-0.5 1,-0.3 -1,-0.2 0.981 78.6 27.2 -68.3 -62.8 14.6 31.9 48.2 100 103 A N S S- 0 0 51 2,-0.1 2,-1.7 1,-0.0 -1,-0.3 -0.882 78.6-134.7-103.3 133.5 13.7 31.8 44.6 101 104 A L + 0 0 55 -2,-0.5 3,-0.0 -3,-0.1 -11,-0.0 -0.598 55.8 134.7 -84.4 76.6 16.0 30.2 42.0 102 105 A T > - 0 0 51 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.882 64.5-116.6-117.1 156.9 15.9 32.9 39.4 103 106 A P H > S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.888 113.1 45.7 -58.8 -42.2 18.8 34.3 37.5 104 107 A E H > S+ 0 0 129 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 111.1 51.1 -73.5 -40.2 18.5 37.8 38.8 105 108 A E H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 111.8 50.3 -58.8 -39.0 18.0 36.8 42.4 106 109 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.904 112.5 44.7 -68.1 -43.9 21.1 34.6 42.1 107 110 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.928 112.0 52.0 -66.8 -45.4 23.2 37.5 40.7 108 111 A N H X S+ 0 0 104 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.880 112.0 47.2 -58.6 -37.6 21.9 40.0 43.3 109 112 A K H X S+ 0 0 37 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.859 111.6 50.2 -73.7 -34.6 22.9 37.6 46.0 110 113 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.897 111.9 47.5 -71.5 -37.8 26.3 36.9 44.5 111 114 A I H X S+ 0 0 25 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.901 109.4 54.0 -70.0 -39.2 26.9 40.7 44.2 112 115 A E H X S+ 0 0 75 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.932 110.2 47.4 -55.4 -47.2 25.7 41.2 47.8 113 116 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.4 0.894 108.5 54.7 -63.0 -40.1 28.3 38.5 48.9 114 117 A K H X S+ 0 0 18 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.861 103.6 55.7 -64.5 -34.2 31.0 40.2 46.8 115 118 A Q H < S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 108.1 49.3 -66.9 -30.7 30.3 43.5 48.6 116 119 A K H < S+ 0 0 99 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.871 111.5 48.5 -73.5 -36.4 30.9 41.7 51.9 117 120 A L H < S- 0 0 11 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.617 104.6-138.5 -87.2 -15.9 34.2 40.1 50.8 118 121 A G < - 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