==== 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 CHAPERONE 21-MAY-05 2BSH . COMPND 2 MOLECULE: SYCT; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR C.R.BUTTNER,G.R.CORNELIS,D.W.HEINZ,H.H.NIEMANN . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.8 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 . 59 25.0 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 . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 13 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 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 . 1 1 0 0 6 0 1 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 . 0 0 0 0 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 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 T 0 0 131 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.5 79.2 13.6 6.8 2 4 A T > - 0 0 64 3,-0.2 4,-2.8 4,-0.1 5,-0.2 0.961 360.0-136.5-108.0 179.4 78.0 11.6 8.3 3 5 A F H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.949 111.0 47.2 -55.3 -48.3 74.2 10.9 8.9 4 6 A T H > S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 110.7 50.3 -58.4 -46.1 74.9 10.3 12.6 5 7 A E H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 112.6 49.0 -60.7 -46.1 77.0 13.4 12.9 6 8 A L H X S+ 0 0 5 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.911 111.1 47.7 -59.5 -46.7 74.3 15.4 11.2 7 9 A X H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.887 108.7 55.9 -62.3 -39.6 71.5 14.0 13.4 8 10 A Q H X S+ 0 0 122 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.914 111.9 42.1 -60.6 -42.8 73.5 14.7 16.5 9 11 A Q H X S+ 0 0 82 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.965 111.2 57.3 -66.8 -47.6 73.9 18.3 15.6 10 12 A L H X S+ 0 0 1 -4,-3.1 4,-1.9 1,-0.2 5,-0.3 0.919 106.2 47.0 -48.1 -60.4 70.2 18.5 14.5 11 13 A F H X>S+ 0 0 18 -4,-2.6 4,-1.5 2,-0.2 5,-1.2 0.924 111.1 53.6 -48.1 -53.7 68.8 17.4 17.9 12 14 A L H ><5S+ 0 0 144 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.949 109.5 47.7 -40.1 -66.8 71.2 19.9 19.7 13 15 A K H 3<5S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.753 118.1 40.4 -50.1 -34.8 69.9 22.9 17.6 14 16 A L H 3<5S- 0 0 54 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.544 103.7-130.9 -94.1 -7.2 66.3 22.0 18.1 15 17 A G T <<5 + 0 0 65 -3,-1.5 -3,-0.2 -4,-1.5 2,-0.2 0.706 60.6 136.7 63.7 22.7 66.8 21.1 21.8 16 18 A L < - 0 0 64 -5,-1.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.547 43.7-149.3 -96.0 164.9 64.9 17.8 21.3 17 19 A N - 0 0 151 -2,-0.2 -1,-0.1 -3,-0.1 11,-0.1 0.977 32.8-176.7 -66.6 -73.9 66.0 14.4 22.8 18 20 A H - 0 0 57 9,-0.3 10,-0.1 -7,-0.1 -7,-0.1 0.812 30.6-101.2-150.6 168.2 65.1 12.0 21.0 19 21 A Q + 0 0 130 7,-0.1 8,-2.5 1,-0.0 2,-0.3 0.154 28.1 170.1 -47.7 143.1 64.7 8.4 20.1 20 22 A V B -A 26 0A 63 6,-0.2 6,-0.2 4,-0.0 -1,-0.0 -0.875 20.2-146.8-149.6 124.2 66.9 6.4 17.7 21 23 A N > - 0 0 79 4,-1.6 3,-2.3 -2,-0.3 4,-0.0 -0.140 36.4 -97.0 -81.8 179.9 66.7 2.6 17.3 22 24 A E T 3 S+ 0 0 193 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.577 125.6 68.6 -78.5 -5.6 69.5 0.2 16.5 23 25 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 16,-0.0 3,-0.1 0.391 114.7-119.2 -88.8 0.5 68.1 0.6 13.0 24 26 A D < + 0 0 91 -3,-2.3 2,-0.5 1,-0.3 16,-0.3 0.779 65.0 143.3 65.2 30.2 69.4 4.2 13.0 25 27 A V - 0 0 21 14,-0.1 -4,-1.6 12,-0.0 2,-0.4 -0.891 37.9-151.1-100.8 129.1 65.9 5.7 12.6 26 28 A Y E -AB 20 38A 17 12,-3.1 12,-2.5 -2,-0.5 2,-0.4 -0.815 9.8-164.1-103.6 139.1 65.4 8.9 14.5 27 29 A T E + B 0 37A 21 -8,-2.5 2,-0.3 -2,-0.4 -9,-0.3 -0.963 9.3 177.0-121.4 137.5 62.1 10.1 15.8 28 30 A F E - B 0 36A 4 8,-2.4 8,-2.6 -2,-0.4 2,-0.2 -0.955 17.1-145.1-144.0 140.1 60.9 13.4 17.0 29 31 A E E - B 0 35A 64 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.559 7.5-157.5 -87.4 147.3 57.5 14.5 18.3 30 32 A V E >> S- B 0 34A 28 4,-2.7 3,-2.1 -2,-0.2 4,-1.7 -0.989 78.3 -25.0-123.3 135.6 56.2 18.0 17.6 31 33 A D T 34 S- 0 0 93 -2,-0.4 4,-0.1 1,-0.3 -1,-0.0 0.682 106.8 -85.0 31.3 27.5 53.5 19.3 20.0 32 34 A G T 34 S+ 0 0 61 2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.709 125.8 74.1 51.8 23.8 52.7 15.6 20.7 33 35 A H T <4 S+ 0 0 165 -3,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.510 89.8 57.7-123.3 -35.2 50.4 15.3 17.7 34 36 A I E < -B 30 0A 7 -4,-1.7 -4,-2.7 16,-0.0 2,-0.4 -0.805 60.6-175.9 -99.7 136.3 53.0 15.2 14.9 35 37 A Q E -B 29 0A 84 -2,-0.4 16,-0.4 16,-0.3 2,-0.4 -0.988 4.7-166.1-130.9 129.7 55.8 12.7 14.7 36 38 A V E -B 28 0A 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.4 -0.926 4.9-157.6-112.8 137.9 58.5 12.8 12.1 37 39 A L E -BC 27 49A 43 12,-2.6 12,-1.7 -2,-0.4 2,-0.4 -0.891 8.0-166.7-112.5 141.4 60.8 9.8 11.4 38 40 A I E +BC 26 48A 0 -12,-2.5 -12,-3.1 -2,-0.4 2,-0.3 -0.999 14.9 157.5-133.0 134.3 64.2 10.4 9.8 39 41 A A E - C 0 47A 6 8,-1.8 8,-3.2 -2,-0.4 2,-0.5 -0.914 31.8-129.7-145.9 163.0 66.6 7.7 8.3 40 42 A C E - C 0 46A 31 -16,-0.3 2,-0.4 -2,-0.3 3,-0.3 -0.986 21.1-161.5-123.3 128.4 69.3 7.5 5.8 41 43 A Y E >> + C 0 45A 85 4,-2.8 4,-3.0 -2,-0.5 3,-2.0 -0.869 69.3 1.2-112.4 145.4 69.4 4.9 3.0 42 44 A H T 34 S- 0 0 141 -2,-0.4 -1,-0.2 1,-0.3 151,-0.0 0.786 117.4 -76.6 54.5 30.4 72.2 3.6 0.9 43 45 A Q T 34 S+ 0 0 189 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.716 132.0 55.6 59.7 17.5 74.6 5.9 2.9 44 46 A Q T <4 S+ 0 0 55 -3,-2.0 43,-2.9 1,-0.2 2,-0.8 0.573 77.4 83.0-145.0 -35.3 73.2 8.8 0.8 45 47 A W E < -CD 41 86A 8 -4,-3.0 -4,-2.8 41,-0.2 2,-0.5 -0.774 54.6-158.8 -99.6 105.1 69.5 9.3 0.9 46 48 A V E -CD 40 85A 0 39,-2.7 39,-1.9 -2,-0.8 2,-0.4 -0.718 18.5-163.1 -80.9 126.2 68.1 11.3 3.9 47 49 A Q E -CD 39 84A 4 -8,-3.2 -8,-1.8 -2,-0.5 2,-0.3 -0.945 13.0-166.4-124.8 127.1 64.5 10.4 4.3 48 50 A L E +CD 38 83A 0 35,-3.4 35,-1.6 -2,-0.4 2,-0.3 -0.838 13.4 174.8-107.1 150.1 61.7 12.2 6.2 49 51 A F E +CD 37 82A 34 -12,-1.7 -12,-2.6 -2,-0.3 2,-0.3 -0.986 8.9 168.6-153.7 139.6 58.3 10.6 6.9 50 52 A S E - D 0 81A 2 31,-2.4 31,-2.9 -2,-0.3 2,-0.3 -0.986 32.8-120.1-149.1 143.7 55.2 11.4 8.9 51 53 A E E - D 0 80A 131 -16,-0.4 -16,-0.3 -2,-0.3 29,-0.3 -0.626 19.9-173.5 -73.1 138.2 51.6 10.0 9.1 52 54 A L E - 0 0 4 27,-2.7 2,-0.2 -2,-0.3 28,-0.2 0.656 33.6-137.1-103.4 -24.8 48.9 12.4 8.1 53 55 A G E - D 0 79A 20 26,-1.4 26,-2.2 3,-0.0 3,-0.4 -0.591 35.8 -33.3 104.9-161.2 45.9 10.2 9.0 54 56 A A S S+ 0 0 40 -2,-0.2 24,-0.1 24,-0.2 23,-0.0 -0.503 106.6 29.8 -94.2 159.4 42.6 9.6 7.3 55 57 A D + 0 0 106 1,-0.2 61,-0.2 -2,-0.2 -1,-0.2 0.682 69.6 151.0 76.7 21.2 40.4 11.7 5.1 56 58 A L - 0 0 24 -3,-0.4 -1,-0.2 1,-0.1 2,-0.1 -0.567 49.8-111.9 -76.8 143.5 42.9 14.0 3.5 57 59 A P - 0 0 6 0, 0.0 59,-0.1 0, 0.0 60,-0.1 -0.429 42.8 -93.7 -68.2 160.7 42.1 15.3 0.1 58 60 A T - 0 0 110 58,-0.2 2,-0.4 -2,-0.1 21,-0.0 -0.391 35.2-143.7 -74.7 148.7 44.3 14.1 -2.7 59 61 A N - 0 0 52 13,-0.2 13,-0.1 -2,-0.1 -1,-0.0 -0.947 15.8-130.7-113.5 141.7 47.3 16.1 -3.7 60 62 A D - 0 0 87 -2,-0.4 140,-1.7 139,-0.1 -1,-0.1 0.609 35.4-140.5 -59.6 -19.3 48.5 16.4 -7.3 61 63 A N + 0 0 12 138,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.922 39.9 161.0 56.9 52.5 52.1 15.6 -6.1 62 64 A L - 0 0 53 137,-0.1 3,-0.4 8,-0.1 8,-0.2 -0.730 37.6-120.6 -97.6 157.2 53.9 18.0 -8.3 63 65 A F S S+ 0 0 40 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 -0.360 84.2 61.3 -77.6 165.2 57.5 19.2 -7.8 64 66 A G S S+ 0 0 39 2,-0.6 -1,-0.2 -2,-0.1 3,-0.1 0.250 78.0 86.5 104.7 -13.0 58.2 22.9 -7.5 65 67 A E S S+ 0 0 134 -3,-0.4 2,-0.3 1,-0.3 -2,-0.1 0.856 103.8 8.8 -87.2 -33.1 56.3 23.8 -4.3 66 68 A H S S- 0 0 34 4,-0.1 -2,-0.6 36,-0.0 -1,-0.3 -0.981 85.4-107.4-139.0 151.1 59.0 22.8 -1.8 67 69 A W S S+ 0 0 36 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.0 -0.967 113.8 24.6-123.0 112.9 62.6 21.9 -2.5 68 70 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.610 115.6-111.0 -72.0 167.3 63.0 19.0 -2.0 69 71 A A - 0 0 6 -2,-0.2 2,-0.6 15,-0.1 15,-0.5 -0.208 15.3-135.9 -61.3 153.9 59.4 18.1 -2.7 70 72 A H - 0 0 8 -8,-0.2 2,-0.4 13,-0.1 13,-0.2 -0.964 25.4-157.8-109.7 119.6 57.0 16.8 -0.1 71 73 A V E -E 82 0A 2 11,-2.8 11,-2.0 -2,-0.6 2,-0.8 -0.832 10.3-143.3-104.8 135.6 55.1 13.9 -1.5 72 74 A Q E +E 81 0A 15 -2,-0.4 9,-0.2 9,-0.2 -13,-0.2 -0.854 30.8 177.0 -99.5 113.5 51.7 12.6 -0.2 73 75 A G E -E 80 0A 0 7,-1.8 7,-2.1 -2,-0.8 2,-0.5 -0.519 28.7-119.6-110.0 178.8 51.5 8.9 -0.4 74 76 A R E +E 79 0A 105 112,-2.4 2,-0.4 5,-0.2 5,-0.2 -0.979 32.7 166.8-123.0 123.3 49.1 6.2 0.5 75 77 A L E > -E 78 0A 66 3,-2.8 3,-1.4 -2,-0.5 -2,-0.0 -0.980 68.1 -14.9-137.7 122.4 50.1 3.6 3.0 76 78 A D T 3 S- 0 0 154 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.812 126.3 -51.7 59.1 33.9 47.7 1.1 4.7 77 79 A G T 3 S+ 0 0 55 1,-0.3 2,-0.3 -23,-0.0 -1,-0.3 0.594 122.7 87.3 84.5 9.9 44.6 3.0 3.8 78 80 A K E < S- E 0 75A 107 -3,-1.4 -3,-2.8 -24,-0.1 -1,-0.3 -0.879 77.6-102.4-139.0 167.7 45.8 6.4 5.1 79 81 A S E -DE 53 74A 3 -26,-2.2 -27,-2.7 -2,-0.3 -26,-1.4 -0.673 32.5-176.8 -96.2 145.1 47.8 9.3 3.9 80 82 A I E -DE 51 73A 5 -7,-2.1 -7,-1.8 -2,-0.3 2,-0.4 -0.891 16.8-140.4-131.9 164.1 51.5 10.0 4.7 81 83 A L E +DE 50 72A 0 -31,-2.9 -31,-2.4 -2,-0.3 2,-0.3 -0.975 26.3 170.5-124.3 139.5 53.9 12.8 3.8 82 84 A W E -DE 49 71A 5 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.3 -0.957 12.3-178.4-146.5 164.5 57.6 12.2 2.9 83 85 A S E -D 48 0A 0 -35,-1.6 -35,-3.4 -2,-0.3 2,-0.3 -0.967 7.2-174.6-159.7 144.7 60.6 14.1 1.6 84 86 A Q E +D 47 0A 18 -15,-0.5 2,-0.3 -2,-0.3 -37,-0.2 -0.988 7.0 169.7-145.0 157.7 64.1 13.0 0.7 85 87 A Q E -D 46 0A 13 -39,-1.9 -39,-2.7 -2,-0.3 2,-0.1 -0.973 41.3 -84.3-159.4 161.5 67.4 14.5 -0.4 86 88 A S E -D 45 0A 3 -2,-0.3 -41,-0.2 -41,-0.2 -42,-0.1 -0.358 25.5-140.5 -68.8 143.8 71.0 13.5 -0.8 87 89 A L S > S+ 0 0 19 -43,-2.9 3,-2.6 2,-0.1 2,-0.1 0.769 72.2 106.9 -75.0 -25.1 73.3 13.7 2.3 88 90 A V T 3 S- 0 0 71 1,-0.3 3,-0.1 -44,-0.3 126,-0.1 -0.358 98.7 -2.0 -61.1 123.2 76.2 15.1 0.2 89 91 A G T 3 S+ 0 0 67 1,-0.3 2,-0.5 -2,-0.1 -1,-0.3 0.626 94.5 141.1 71.9 10.5 76.6 18.7 0.9 90 92 A L < - 0 0 12 -3,-2.6 -1,-0.3 4,-0.1 2,-0.2 -0.795 31.4-170.7 -87.5 128.9 73.6 18.8 3.3 91 93 A D > - 0 0 75 -2,-0.5 4,-2.7 -3,-0.1 5,-0.2 -0.589 35.9-101.2-115.3 175.5 74.5 21.0 6.3 92 94 A I H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.875 119.0 53.7 -69.3 -39.6 72.8 21.7 9.7 93 95 A D H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 115.0 40.8 -59.5 -47.9 71.2 25.0 8.6 94 96 A E H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.881 112.9 53.8 -70.1 -38.3 69.6 23.3 5.6 95 97 A X H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.931 113.1 45.3 -60.8 -40.4 68.7 20.1 7.5 96 98 A Q H X S+ 0 0 33 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.916 111.7 48.8 -71.8 -43.4 66.9 22.3 10.0 97 99 A A H X S+ 0 0 29 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.912 112.7 52.1 -61.8 -41.2 65.1 24.6 7.5 98 100 A W H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.954 109.0 45.8 -59.4 -51.3 64.0 21.5 5.7 99 101 A L H X S+ 0 0 2 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.939 113.0 53.3 -60.9 -40.8 62.5 19.8 8.8 100 102 A E H X S+ 0 0 101 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.929 110.7 45.2 -57.4 -46.6 60.9 23.1 9.6 101 103 A R H X S+ 0 0 73 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.872 114.4 50.2 -61.9 -43.0 59.3 23.4 6.1 102 104 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.961 111.9 46.4 -62.2 -51.4 58.2 19.7 6.4 103 105 A I H X S+ 0 0 26 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.903 111.4 51.7 -55.8 -43.6 56.6 20.2 9.8 104 106 A D H X S+ 0 0 74 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.909 110.3 49.5 -64.0 -38.1 54.8 23.3 8.8 105 107 A D H X S+ 0 0 7 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.935 110.0 49.6 -67.5 -44.6 53.4 21.5 5.8 106 108 A I H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.948 110.6 52.1 -55.7 -47.7 52.2 18.5 7.8 107 109 A E H X S+ 0 0 66 -4,-2.6 4,-0.8 1,-0.2 3,-0.3 0.914 111.5 45.2 -56.8 -48.3 50.5 20.9 10.3 108 110 A Q H >< S+ 0 0 105 -4,-2.2 3,-0.6 1,-0.2 6,-0.3 0.891 111.0 53.2 -66.7 -38.1 48.7 22.8 7.5 109 111 A R H 3< S+ 0 0 17 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.783 110.2 47.7 -70.2 -25.4 47.6 19.6 5.8 110 112 A K H 3< S+ 0 0 85 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.586 90.0 103.3 -84.8 -13.7 46.1 18.2 9.1 111 113 A E S X< S- 0 0 101 -4,-0.8 3,-1.9 -3,-0.6 -3,-0.0 -0.347 86.0-114.0 -70.3 155.5 44.2 21.5 9.8 112 114 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.758 112.0 71.7 -64.3 -23.7 40.5 21.5 9.2 113 115 A Q T 3 S+ 0 0 139 1,-0.2 2,-1.7 2,-0.1 -4,-0.1 0.762 84.5 70.0 -63.3 -22.9 40.9 24.0 6.4 114 116 A N S < S- 0 0 43 -3,-1.9 -1,-0.2 -6,-0.3 2,-0.1 -0.541 86.1-174.8 -91.0 74.9 42.5 21.2 4.3 115 117 A T > - 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