==== 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 PROTEIN TRANSPORT 29-JUL-08 3DZ8 . COMPND 2 MOLECULE: RAS-RELATED PROTEIN RAB-3B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.SHEN,Y.TONG,D.SUKUMAR,W.TEMPEL,P.LOPPNAU,C.H.ARROWSMITH, . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 1 1 0 1 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 10 A R 0 0 218 0, 0.0 2,-0.4 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 -19.6 27.5 10.1 30.8 2 11 A E + 0 0 41 11,-0.3 11,-2.7 83,-0.1 2,-0.3 -0.984 360.0 171.2-127.2 120.3 25.2 7.0 30.8 3 12 A N E -A 12 0A 99 -2,-0.4 2,-0.4 9,-0.3 9,-0.2 -0.906 26.5-144.7-130.5 154.7 26.3 4.1 32.9 4 13 A L E -A 11 0A 41 7,-2.7 7,-2.1 -2,-0.3 2,-0.4 -0.960 13.3-160.3-112.1 136.5 25.1 0.8 34.2 5 14 A Y E +A 10 0A 141 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.981 17.5 165.3-115.6 132.9 26.0 -0.5 37.6 6 15 A F E > -A 9 0A 144 3,-2.5 3,-1.9 -2,-0.4 -2,-0.0 -0.934 63.2 -21.5-150.7 123.6 25.7 -4.2 38.4 7 16 A Q T 3 S- 0 0 149 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.865 128.5 -41.1 47.7 50.5 27.1 -6.3 41.3 8 17 A G T 3 S+ 0 0 45 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.361 119.9 99.5 89.4 -4.6 29.9 -3.9 42.1 9 18 A N E < -A 6 0A 119 -3,-1.9 -3,-2.5 2,-0.0 2,-0.3 -0.841 53.8-148.8-126.8 151.6 30.9 -3.1 38.5 10 19 A F E +A 5 0A 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.880 16.2 167.7-116.7 150.9 30.3 -0.3 36.0 11 20 A D E -A 4 0A 74 -7,-2.1 -7,-2.7 -2,-0.3 2,-0.1 -0.962 36.3 -96.1-148.4 164.1 30.0 -0.1 32.2 12 21 A Y E -A 3 0A 57 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.416 28.6-152.0 -76.5 153.3 28.9 2.5 29.7 13 22 A M - 0 0 19 -11,-2.7 2,-0.5 -2,-0.1 -11,-0.3 -0.948 19.3-121.0-119.2 145.4 25.4 2.7 28.1 14 23 A F E -b 62 0B 43 47,-3.1 49,-2.9 -2,-0.3 2,-0.7 -0.798 24.2-141.4 -81.4 122.7 24.5 4.1 24.6 15 24 A K E -b 63 0B 12 -2,-0.5 72,-2.5 70,-0.3 73,-1.3 -0.801 25.0-177.5 -86.0 111.1 22.0 7.0 25.0 16 25 A L E -bc 64 88B 0 47,-3.3 49,-2.5 -2,-0.7 2,-0.4 -0.959 6.0-161.2-115.0 132.1 19.5 6.6 22.1 17 26 A L E -bc 65 89B 1 71,-2.7 73,-2.5 -2,-0.5 2,-0.5 -0.858 12.6-153.4-117.7 143.3 16.7 9.1 21.6 18 27 A I E + c 0 90B 0 47,-1.6 49,-0.4 -2,-0.4 2,-0.3 -0.971 29.3 166.7-114.6 120.4 13.5 9.0 19.7 19 28 A I E + c 0 91B 0 71,-2.8 73,-3.2 -2,-0.5 2,-0.2 -0.844 11.8 105.8-134.9 166.7 12.3 12.5 18.6 20 29 A G E - c 0 92B 0 -2,-0.3 49,-0.2 71,-0.2 73,-0.1 -0.762 67.0 -33.6 141.9 171.1 9.7 14.0 16.2 21 30 A N S > S- 0 0 37 71,-0.6 3,-1.6 79,-0.3 5,-0.3 -0.108 73.5 -86.1 -57.0 151.0 6.4 15.8 16.3 22 31 A S T 3 S+ 0 0 69 1,-0.2 -1,-0.1 2,-0.1 78,-0.0 -0.325 113.0 17.7 -51.9 133.6 3.7 15.0 18.8 23 32 A S T 3 S+ 0 0 96 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.449 82.3 118.7 82.3 8.4 1.6 12.1 17.7 24 33 A V S < S- 0 0 2 -3,-1.6 71,-0.1 68,-0.1 69,-0.1 0.642 93.4 -94.7 -73.6 -15.7 3.9 10.6 15.0 25 34 A G S > S+ 0 0 11 -4,-0.2 4,-2.6 67,-0.1 5,-0.2 0.651 77.9 139.6 111.2 20.6 4.1 7.3 17.1 26 35 A K H > S+ 0 0 12 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.932 79.0 42.6 -58.1 -51.5 7.3 7.7 19.1 27 36 A T H > S+ 0 0 37 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.931 115.4 50.3 -62.4 -44.6 5.8 6.1 22.3 28 37 A S H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 111.7 48.5 -60.1 -40.8 4.1 3.4 20.3 29 38 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.930 113.4 45.7 -67.6 -49.4 7.4 2.6 18.5 30 39 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.917 115.7 47.6 -57.8 -45.7 9.4 2.5 21.8 31 40 A F H X S+ 0 0 69 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.824 108.3 53.4 -68.8 -34.9 6.7 0.3 23.4 32 41 A R H X S+ 0 0 80 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.888 110.2 48.7 -64.7 -41.0 6.5 -2.0 20.5 33 42 A Y H X S+ 0 0 13 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.917 111.6 49.3 -62.6 -44.4 10.3 -2.5 20.8 34 43 A A H <>S+ 0 0 2 -4,-2.3 5,-2.8 2,-0.2 3,-0.3 0.958 113.8 45.9 -57.7 -51.8 10.0 -3.1 24.5 35 44 A D H ><5S+ 0 0 114 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.916 109.6 54.1 -58.1 -48.2 7.2 -5.7 23.9 36 45 A D H 3<5S+ 0 0 45 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 115.8 40.1 -51.7 -38.0 9.1 -7.4 21.1 37 46 A T T 3<5S- 0 0 18 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.241 111.4-115.4-101.9 12.4 12.1 -7.9 23.5 38 47 A F T < 5 + 0 0 97 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.908 70.0 140.9 55.2 43.6 10.1 -8.8 26.6 39 48 A T < - 0 0 22 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.917 49.5-125.5-118.7 141.1 11.4 -5.6 28.3 40 49 A P - 0 0 77 0, 0.0 16,-0.4 0, 0.0 2,-0.4 -0.426 17.9-147.8 -74.6 159.3 9.6 -3.1 30.6 41 50 A A - 0 0 33 14,-0.1 2,-0.4 -2,-0.1 14,-0.2 -0.954 7.2-144.7-120.5 152.7 9.4 0.6 29.9 42 51 A F E -D 54 0B 114 12,-2.8 12,-2.8 -2,-0.4 2,-0.5 -0.940 8.3-162.0-119.0 139.5 9.2 3.3 32.6 43 52 A V E -D 53 0B 77 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.976 7.4-175.4-127.6 123.2 7.3 6.4 32.4 44 53 A S E -D 52 0B 76 8,-3.2 8,-2.9 -2,-0.5 2,-0.4 -0.912 18.8-131.0-120.4 148.2 7.9 9.5 34.6 45 54 A T E -D 51 0B 80 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.806 16.2-170.9-106.1 134.4 5.9 12.7 34.7 46 55 A V E > -D 50 0B 29 4,-3.7 4,-1.9 -2,-0.4 3,-0.2 -0.982 63.0 -23.2-119.8 136.1 7.4 16.2 34.5 47 56 A G T 4 S- 0 0 47 -2,-0.4 24,-0.0 1,-0.2 -2,-0.0 -0.247 123.0 -24.8 59.3-148.7 5.1 19.2 35.2 48 57 A I T 4 S- 0 0 158 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.969 133.5 -25.5 -62.2 -56.4 1.4 18.7 34.7 49 58 A D T 4 S+ 0 0 92 -3,-0.2 2,-0.4 -4,-0.1 -2,-0.2 0.114 89.2 133.0-152.8 24.5 1.5 15.8 32.2 50 59 A F E < -D 46 0B 38 -4,-1.9 -4,-3.7 20,-0.1 2,-0.4 -0.699 43.9-145.1 -88.2 138.3 4.8 15.8 30.2 51 60 A K E -D 45 0B 62 -2,-0.4 17,-2.6 -6,-0.2 2,-0.5 -0.800 23.2-161.7-115.1 142.4 6.4 12.4 30.1 52 61 A V E -DE 44 67B 22 -8,-2.9 -8,-3.2 -2,-0.4 2,-0.5 -0.985 19.7-168.4-110.0 127.9 9.8 10.8 30.0 53 62 A K E -DE 43 66B 25 13,-2.6 13,-2.9 -2,-0.5 2,-0.4 -0.988 8.2-176.7-124.2 124.1 9.6 7.2 28.7 54 63 A T E -DE 42 65B 10 -12,-2.8 -12,-2.8 -2,-0.5 2,-0.4 -0.978 17.0-173.5-132.5 133.2 12.6 5.0 29.1 55 64 A V E - E 0 64B 0 9,-2.6 9,-3.3 -2,-0.4 2,-0.5 -0.999 12.9-160.4-120.6 129.5 13.6 1.4 28.1 56 65 A Y E - E 0 63B 85 -16,-0.4 2,-0.5 -2,-0.4 7,-0.2 -0.919 6.3-164.3-108.2 130.1 16.9 -0.1 29.3 57 66 A R E >> - E 0 62B 50 5,-3.1 5,-1.7 -2,-0.5 4,-0.6 -0.973 6.9-171.0-110.8 121.6 18.6 -3.1 27.6 58 67 A H T 45S+ 0 0 122 -2,-0.5 3,-0.4 2,-0.2 -1,-0.2 0.965 80.6 40.8 -81.1 -53.6 21.2 -4.4 30.0 59 68 A E T 45S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.861 122.4 43.0 -63.7 -37.9 23.1 -6.9 27.9 60 69 A K T 45S- 0 0 86 2,-0.1 -1,-0.2 -46,-0.0 -2,-0.2 0.568 103.6-134.7 -89.9 -9.6 23.1 -4.6 24.9 61 70 A R T <5 + 0 0 81 -4,-0.6 -47,-3.1 -3,-0.4 2,-0.4 0.891 53.5 138.7 60.9 49.4 23.9 -1.6 27.0 62 71 A V E < -bE 14 57B 6 -5,-1.7 -5,-3.1 -49,-0.3 2,-0.5 -0.987 40.3-161.5-129.0 135.6 21.4 0.8 25.5 63 72 A K E -bE 15 56B 19 -49,-2.9 -47,-3.3 -2,-0.4 2,-0.5 -0.976 12.7-165.3-108.8 119.1 19.1 3.3 27.1 64 73 A L E -bE 16 55B 0 -9,-3.3 -9,-2.6 -2,-0.5 2,-0.4 -0.920 15.8-179.9-108.1 126.9 16.2 4.3 24.8 65 74 A Q E -bE 17 54B 25 -49,-2.5 -47,-1.6 -2,-0.5 2,-0.4 -0.989 24.3-167.1-142.5 137.0 14.4 7.5 25.8 66 75 A I E - E 0 53B 0 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.5 -0.950 2.1-173.0-109.1 131.8 11.5 9.8 24.8 67 76 A W E - E 0 52B 1 -2,-0.4 -15,-0.2 -49,-0.4 5,-0.2 -0.989 43.8-107.3-120.2 114.5 11.1 13.2 26.3 68 77 A D > - 0 0 31 -17,-2.6 4,-1.8 -2,-0.5 3,-0.4 -0.038 16.7-127.6 -48.8 141.2 7.7 14.3 24.9 69 78 A T H > S+ 0 0 11 -49,-0.2 4,-1.5 1,-0.2 5,-0.1 0.876 111.0 54.8 -55.4 -42.1 7.8 17.1 22.3 70 79 A A H > S+ 0 0 39 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.875 108.5 51.0 -64.7 -31.0 5.3 19.3 24.3 71 80 A G H >> S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 3,-1.1 0.893 104.0 56.3 -68.2 -40.7 7.7 19.0 27.2 72 81 A Q H 3< S+ 0 0 25 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.825 105.0 54.0 -62.7 -33.1 10.7 20.0 25.1 73 82 A E H 3< S+ 0 0 155 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.697 115.5 38.3 -73.1 -19.0 8.9 23.2 24.3 74 83 A R H << S+ 0 0 158 -3,-1.1 2,-0.6 -4,-0.5 -2,-0.2 0.759 111.8 51.3-103.5 -36.2 8.3 24.1 28.0 75 84 A Y X + 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 -0.847 52.1 179.8-120.7 103.5 11.5 23.1 29.9 76 85 A R H > S+ 0 0 90 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.925 82.5 43.9 -64.6 -50.8 14.8 24.3 28.6 77 86 A T H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 114.9 48.1 -69.8 -38.6 17.1 22.8 31.2 78 87 A I H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 113.3 50.1 -65.4 -40.2 15.5 19.4 31.2 79 88 A T H X S+ 0 0 11 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.926 109.2 48.9 -66.1 -46.8 15.5 19.4 27.3 80 89 A T H X S+ 0 0 45 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 111.7 50.4 -61.4 -38.7 19.2 20.3 27.0 81 90 A A H < S+ 0 0 59 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.878 108.4 54.9 -61.6 -38.5 20.1 17.5 29.5 82 91 A Y H < S+ 0 0 9 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.935 116.4 34.3 -59.8 -49.1 18.0 15.2 27.4 83 92 A Y H >< S+ 0 0 0 -4,-2.2 3,-2.3 -5,-0.1 33,-0.4 0.799 90.2 109.4 -78.0 -33.7 19.9 15.9 24.2 84 93 A R T 3< S- 0 0 120 -4,-2.5 31,-0.2 1,-0.3 30,-0.1 -0.233 95.7 -1.8 -51.3 121.2 23.4 16.4 25.7 85 94 A G T 3 S+ 0 0 26 29,-0.4 -70,-0.3 1,-0.2 -1,-0.3 0.702 83.6 163.9 70.2 19.7 25.6 13.4 24.8 86 95 A A < - 0 0 0 -3,-2.3 30,-0.9 1,-0.1 -1,-0.2 -0.555 23.7-161.8 -64.2 136.4 22.9 11.5 22.8 87 96 A M + 0 0 39 -72,-2.5 33,-1.7 1,-0.3 2,-0.3 0.723 66.7 5.8 -92.6 -33.2 24.8 8.9 20.7 88 97 A G E -cf 16 120B 0 -73,-1.3 -71,-2.7 31,-0.3 2,-0.4 -0.993 61.5-149.5-152.5 157.0 22.0 8.2 18.2 89 98 A F E -cf 17 121B 0 31,-2.5 33,-2.4 -2,-0.3 2,-0.6 -0.973 14.2-153.1-128.3 140.2 18.5 9.3 17.2 90 99 A I E -cf 18 122B 0 -73,-2.5 -71,-2.8 -2,-0.4 2,-0.8 -0.988 25.2-161.7 -94.2 114.7 15.4 7.9 15.7 91 100 A L E -cf 19 123B 0 31,-3.0 33,-2.6 -2,-0.6 2,-0.4 -0.900 17.0-161.8-102.5 107.8 14.0 11.0 14.0 92 101 A M E +cf 20 124B 0 -73,-3.2 -71,-0.6 -2,-0.8 2,-0.3 -0.743 22.5 167.7-107.5 137.4 10.4 10.1 13.3 93 102 A Y E - f 0 125B 0 31,-2.6 33,-3.2 -2,-0.4 2,-0.5 -0.838 35.7-114.1-128.1 175.6 7.6 11.4 11.1 94 103 A D E > - f 0 126B 8 3,-0.5 3,-2.5 -2,-0.3 7,-0.3 -0.957 11.9-148.3-115.1 119.4 4.2 10.1 10.2 95 104 A I T 3 S+ 0 0 0 31,-2.4 40,-2.5 -2,-0.5 41,-1.9 0.696 102.7 53.6 -62.7 -19.7 3.7 9.1 6.5 96 105 A T T 3 S+ 0 0 38 30,-0.3 2,-0.4 38,-0.3 -1,-0.3 0.319 101.6 67.0 -93.3 5.0 0.1 10.2 6.9 97 106 A N <> - 0 0 72 -3,-2.5 4,-1.2 1,-0.1 -3,-0.5 -0.882 58.1-169.5-133.8 106.5 1.0 13.7 8.3 98 107 A E H > S+ 0 0 108 -2,-0.4 4,-2.1 1,-0.2 3,-0.2 0.864 87.6 56.3 -62.1 -39.0 2.7 16.2 6.0 99 108 A E H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.881 101.8 57.1 -60.9 -38.4 3.5 18.7 8.8 100 109 A S H 4 S+ 0 0 0 -3,-0.4 -79,-0.3 1,-0.2 -1,-0.2 0.886 110.3 45.1 -62.3 -36.4 5.4 16.0 10.7 101 110 A F H >< S+ 0 0 24 -4,-1.2 3,-1.3 -7,-0.3 4,-0.3 0.834 108.3 56.1 -73.2 -36.2 7.6 15.6 7.6 102 111 A N H 3< S+ 0 0 96 -4,-2.1 3,-0.4 1,-0.3 4,-0.4 0.746 101.1 60.2 -67.6 -23.5 8.0 19.3 7.1 103 112 A A T 3X S+ 0 0 15 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.522 79.6 91.1 -77.3 -8.0 9.3 19.5 10.7 104 113 A V H <> S+ 0 0 0 -3,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.872 81.3 52.9 -63.8 -43.4 12.2 17.2 9.9 105 114 A Q H > S+ 0 0 52 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.942 111.4 49.9 -52.8 -45.1 14.7 19.9 8.9 106 115 A D H > S+ 0 0 115 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.850 110.3 47.3 -65.0 -36.3 13.9 21.5 12.2 107 116 A W H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.861 108.8 57.2 -71.5 -35.1 14.5 18.3 14.2 108 117 A A H X S+ 0 0 6 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.886 106.4 48.0 -59.1 -43.5 17.8 17.8 12.2 109 118 A T H X S+ 0 0 92 -4,-2.0 4,-2.3 1,-0.2 3,-0.2 0.928 107.7 56.8 -64.9 -42.9 19.0 21.2 13.4 110 119 A Q H X S+ 0 0 54 -4,-1.7 4,-2.1 1,-0.2 5,-0.3 0.922 105.5 51.2 -51.2 -50.7 18.0 20.2 17.0 111 120 A I H X S+ 0 0 6 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.842 112.2 44.7 -55.0 -43.7 20.2 17.1 16.8 112 121 A K H < S+ 0 0 165 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.855 114.2 48.8 -74.3 -39.5 23.3 19.0 15.6 113 122 A T H < S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.1 0.976 123.6 24.6 -60.6 -59.8 23.0 21.8 18.1 114 123 A Y H < S+ 0 0 27 -4,-2.1 -29,-0.4 -5,-0.2 2,-0.2 0.642 112.1 62.5 -92.3 -19.3 22.4 19.9 21.3 115 124 A S S < S- 0 0 12 -4,-1.4 -31,-0.2 -5,-0.3 -28,-0.1 -0.537 91.2 -58.3-115.6 172.4 24.0 16.4 20.8 116 125 A W > - 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