==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 18-DEC-06 2OB4 . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2-32 KDA COMPLEMENT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.NECULAI,G.V.AVVAKUMOV,S.XUE,J.R.WALKER,F.MACKENZIE,J.WEIGE . 157 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 66.2 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 . 22 14.0 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 31.2 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+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 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 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 . 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A S > 0 0 80 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 151.7 2.9 4.9 31.9 2 10 A Q H > + 0 0 112 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.790 360.0 57.6 -71.2 -32.0 0.8 7.7 30.3 3 11 A K H > S+ 0 0 145 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.905 103.9 50.0 -63.0 -45.5 1.6 9.6 33.6 4 12 A A H > S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.885 115.9 41.9 -61.1 -42.7 5.4 9.2 33.1 5 13 A L H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.845 113.5 51.9 -74.0 -39.0 5.2 10.5 29.5 6 14 A L H X S+ 0 0 89 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.925 113.1 46.5 -60.1 -48.9 2.7 13.3 30.4 7 15 A L H X S+ 0 0 78 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.830 115.6 45.7 -59.6 -38.2 5.1 14.3 33.2 8 16 A E H X S+ 0 0 6 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.898 113.4 48.4 -75.7 -42.6 8.1 14.2 30.8 9 17 A L H >X S+ 0 0 13 -4,-3.1 4,-1.6 2,-0.2 3,-0.9 0.976 114.6 45.0 -59.3 -59.0 6.3 16.0 27.9 10 18 A K H >X S+ 0 0 104 -4,-2.4 4,-1.8 1,-0.3 3,-0.5 0.907 112.0 53.2 -51.3 -50.1 5.1 18.8 30.2 11 19 A G H 3X S+ 0 0 19 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.756 111.3 46.1 -57.6 -29.6 8.5 19.0 31.9 12 20 A L H << S+ 0 0 14 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.667 113.2 48.9 -87.7 -20.5 10.2 19.4 28.4 13 21 A Q H << S+ 0 0 110 -4,-1.6 -2,-0.2 -3,-0.5 -3,-0.2 0.658 112.8 48.3 -88.1 -20.3 7.7 22.0 27.3 14 22 A E H < S+ 0 0 121 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.818 128.6 21.8 -86.5 -35.8 8.1 24.0 30.5 15 23 A E S < S- 0 0 136 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.711 87.6-159.7-131.3 84.0 11.9 24.0 30.4 16 24 A P - 0 0 72 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.183 21.7-117.9 -63.7 150.7 13.0 23.3 26.8 17 25 A V > - 0 0 17 3,-0.3 3,-1.5 -5,-0.2 2,-0.3 -0.798 47.6-100.2 -78.5 132.4 16.5 22.1 25.9 18 26 A E T 3 S+ 0 0 186 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 -0.403 108.1 17.0 -61.3 114.6 18.0 24.9 23.8 19 27 A G T 3 S+ 0 0 13 -2,-0.3 19,-2.4 1,-0.2 2,-0.3 0.658 108.1 93.2 95.9 19.2 17.6 23.9 20.1 20 28 A F E < -A 37 0A 10 -3,-1.5 2,-0.5 17,-0.2 -3,-0.3 -0.977 48.0-172.1-145.8 126.8 15.0 21.2 20.5 21 29 A R E -A 36 0A 121 15,-1.7 15,-2.5 -2,-0.3 2,-0.4 -0.983 12.7-162.0-121.9 117.5 11.2 21.6 20.3 22 30 A V E +A 35 0A 14 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.865 17.8 158.7-107.3 131.8 9.2 18.5 21.3 23 31 A T E -A 34 0A 71 11,-2.3 11,-2.4 -2,-0.4 2,-0.3 -0.876 41.4-101.7-136.0 165.2 5.6 17.9 20.4 24 32 A L E -A 33 0A 25 -2,-0.3 3,-0.3 9,-0.2 9,-0.2 -0.721 19.9-141.7 -84.4 144.2 3.2 14.9 20.1 25 33 A V S S+ 0 0 68 7,-1.5 2,-0.6 1,-0.3 -1,-0.2 0.990 98.9 14.6 -67.3 -60.9 2.5 13.6 16.6 26 34 A D S > S- 0 0 104 3,-0.4 3,-3.6 6,-0.4 -1,-0.3 -0.962 79.4-143.1-113.5 113.5 -1.2 13.0 17.4 27 35 A E T 3 S+ 0 0 174 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.620 101.6 60.7 -55.1 -7.2 -2.1 14.8 20.7 28 36 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.349 98.6 64.6 -97.6 4.8 -4.3 11.7 21.5 29 37 A D X - 0 0 54 -3,-3.6 3,-0.8 3,-0.1 -3,-0.4 -0.866 55.7-178.4-135.0 99.1 -1.3 9.4 21.4 30 38 A L T 3 S+ 0 0 19 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.567 74.9 71.2 -69.9 -11.5 1.5 9.9 24.0 31 39 A Y T 3 S+ 0 0 39 1,-0.1 25,-2.6 24,-0.1 2,-0.5 0.682 91.2 57.5 -86.2 -18.8 3.7 7.1 22.7 32 40 A N E < + B 0 55A 48 -3,-0.8 -7,-1.5 23,-0.2 -6,-0.4 -0.969 66.9 178.4-116.3 123.1 4.9 8.8 19.5 33 41 A W E -AB 24 54A 0 21,-2.7 21,-2.8 -2,-0.5 2,-0.4 -0.900 20.1-141.4-120.8 151.0 6.7 12.2 19.7 34 42 A E E -AB 23 53A 38 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.5 -0.939 14.9-158.3-110.6 133.9 8.2 14.4 17.1 35 43 A V E -AB 22 52A 0 17,-2.7 17,-2.3 -2,-0.4 2,-0.4 -0.949 4.7-156.9-115.0 127.5 11.4 16.3 17.8 36 44 A A E -AB 21 51A 14 -15,-2.5 -15,-1.7 -2,-0.5 2,-0.5 -0.866 14.4-162.8 -94.8 135.7 12.6 19.5 16.0 37 45 A I E -AB 20 50A 3 13,-2.8 13,-3.5 -2,-0.4 2,-0.7 -0.962 8.1-160.3-129.6 115.8 16.4 20.0 16.1 38 46 A F E - B 0 49A 63 -19,-2.4 11,-0.2 -2,-0.5 8,-0.1 -0.860 32.6-113.2 -99.7 114.5 18.1 23.3 15.4 39 47 A G - 0 0 8 9,-1.7 8,-0.9 -2,-0.7 -20,-0.0 -0.144 36.3-100.2 -53.7 131.0 21.8 22.9 14.6 40 48 A P > - 0 0 29 0, 0.0 3,-1.9 0, 0.0 6,-0.4 -0.286 33.3-120.0 -60.3 130.9 24.2 24.4 17.2 41 49 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.475 104.5 41.2 -56.6 -17.7 25.6 27.8 16.0 42 50 A N T 3 S+ 0 0 159 3,-0.0 2,-0.2 0, 0.0 -3,-0.0 0.089 100.5 80.0-122.9 24.0 29.3 27.0 15.9 43 51 A T S X S- 0 0 31 -3,-1.9 3,-1.2 -4,-0.0 66,-0.1 -0.600 97.3 -98.1-106.9-179.1 29.3 23.5 14.4 44 52 A Y T 3 S+ 0 0 116 1,-0.2 102,-0.2 -2,-0.2 -5,-0.1 0.480 122.2 66.1 -76.9 -1.2 28.9 22.5 10.7 45 53 A Y T > S+ 0 0 12 -5,-0.3 3,-2.4 -7,-0.1 -6,-0.3 0.543 71.5 130.4 -91.7 -11.5 25.2 22.0 11.6 46 54 A E T < S+ 0 0 107 -3,-1.2 3,-0.1 -6,-0.4 -7,-0.0 -0.163 73.4 19.1 -53.4 132.8 24.6 25.7 12.3 47 55 A G T 3 S+ 0 0 69 -8,-0.9 -1,-0.3 1,-0.3 2,-0.1 0.185 98.8 127.7 90.9 -13.2 21.5 27.0 10.5 48 56 A G < - 0 0 2 -3,-2.4 -9,-1.7 -8,-0.1 2,-0.4 -0.354 47.5-156.1 -74.3 156.0 20.2 23.5 10.0 49 57 A Y E -B 38 0A 24 97,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.930 18.0-174.2-134.9 103.3 16.7 22.3 11.0 50 58 A F E -B 37 0A 1 -13,-3.5 -13,-2.8 -2,-0.4 2,-0.4 -0.786 11.0-151.1-109.1 145.9 16.6 18.5 11.5 51 59 A K E +B 36 0A 35 -2,-0.3 19,-2.5 -15,-0.2 20,-1.8 -0.951 21.2 162.7-120.9 134.1 13.5 16.3 12.2 52 60 A A E -BC 35 69A 0 -17,-2.3 -17,-2.7 -2,-0.4 2,-0.3 -0.881 23.3-131.7-140.7 170.3 13.5 13.1 14.2 53 61 A R E -BC 34 68A 80 15,-3.0 15,-1.6 -2,-0.3 2,-0.4 -0.940 4.8-155.3-131.3 150.5 11.0 10.8 16.0 54 62 A L E -BC 33 67A 1 -21,-2.8 -21,-2.7 -2,-0.3 2,-0.4 -0.980 7.6-172.1-122.6 137.3 10.6 9.1 19.4 55 63 A K E -BC 32 66A 129 11,-1.5 11,-2.6 -2,-0.4 -23,-0.2 -0.999 9.3-160.8-130.2 125.6 8.5 6.0 20.0 56 64 A F - 0 0 7 -25,-2.6 -2,-0.0 -2,-0.4 -51,-0.0 -0.857 16.8-121.0-111.2 141.9 8.0 4.7 23.6 57 65 A P > - 0 0 38 0, 0.0 3,-1.3 0, 0.0 6,-0.1 -0.272 28.9-109.8 -72.6 165.1 6.9 1.3 24.7 58 66 A I T 3 S+ 0 0 146 1,-0.2 -56,-0.1 3,-0.0 -2,-0.0 0.608 119.7 52.7 -69.0 -11.2 3.7 0.7 26.8 59 67 A D T > S+ 0 0 69 5,-0.1 3,-2.3 -58,-0.1 4,-0.2 0.184 92.0 175.9-111.2 14.0 6.0 -0.2 29.8 60 68 A Y T < + 0 0 3 -3,-1.3 -56,-0.2 1,-0.3 -55,-0.1 -0.287 58.9 30.0 -50.6 143.4 8.1 3.0 29.6 61 69 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.924 116.0 62.8 -84.7 14.6 10.3 3.9 31.5 62 70 A Y S < S+ 0 0 205 -3,-2.3 -2,-0.2 1,-0.1 0, 0.0 0.871 114.5 36.5 -62.6 -35.7 11.1 0.2 32.2 63 71 A S S S- 0 0 32 -4,-0.2 -1,-0.1 -6,-0.1 -4,-0.0 -0.938 94.9-117.3-121.2 140.0 12.0 -0.1 28.5 64 72 A P - 0 0 72 0, 0.0 -5,-0.1 0, 0.0 22,-0.1 -0.277 28.3-110.1 -77.4 159.7 13.7 2.6 26.5 65 73 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.128 28.9-108.1 -72.0 179.4 12.2 4.5 23.5 66 74 A A E -C 55 0A 58 -11,-2.6 -11,-1.5 19,-0.1 2,-0.4 -0.936 28.5-156.1-106.0 135.1 13.2 4.2 19.8 67 75 A F E +CD 54 84A 5 17,-0.6 17,-1.8 -2,-0.4 2,-0.3 -0.940 19.5 162.0-114.5 136.3 15.1 7.0 18.2 68 76 A R E -CD 53 83A 92 -15,-1.6 -15,-3.0 -2,-0.4 2,-0.3 -0.946 31.0-132.6-153.8 127.3 15.1 7.7 14.4 69 77 A F E -C 52 0A 4 13,-3.3 -17,-0.3 -2,-0.3 4,-0.1 -0.608 7.0-164.6 -73.0 135.2 15.9 10.7 12.3 70 78 A L S S+ 0 0 53 -19,-2.5 -18,-0.2 -2,-0.3 -1,-0.1 0.876 76.4 74.9 -82.6 -46.9 13.5 11.6 9.5 71 79 A T S S- 0 0 21 -20,-1.8 2,-0.3 1,-0.1 -2,-0.1 -0.389 98.7-110.4 -55.4 136.4 16.0 13.9 7.8 72 80 A K - 0 0 124 73,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.668 42.0-168.6 -72.0 133.2 18.7 11.9 6.1 73 81 A M - 0 0 15 -2,-0.3 2,-0.8 6,-0.3 9,-0.1 -0.996 22.5-141.9-131.7 122.6 22.0 12.3 8.0 74 82 A W + 0 0 68 -2,-0.4 5,-0.1 64,-0.1 3,-0.1 -0.787 51.4 134.9 -81.8 110.8 25.5 11.4 7.0 75 83 A H > - 0 0 0 -2,-0.8 3,-1.3 3,-0.4 43,-0.2 -0.961 64.1-125.6-163.3 137.0 27.0 10.1 10.3 76 84 A P T 3 S+ 0 0 0 0, 0.0 42,-3.0 0, 0.0 41,-1.4 0.841 113.6 40.2 -47.1 -39.0 29.1 7.3 11.7 77 85 A N T 3 S+ 0 0 12 40,-0.2 2,-0.4 39,-0.2 8,-0.4 0.223 100.1 80.5-106.4 11.5 26.4 6.5 14.3 78 86 A I S < S- 0 0 1 -3,-1.3 -3,-0.4 6,-0.1 6,-0.2 -0.962 70.8-134.7-121.0 132.2 23.2 7.0 12.3 79 87 A Y > - 0 0 104 4,-2.6 3,-1.2 -2,-0.4 -6,-0.3 -0.362 28.4-107.9 -80.2 167.1 21.8 4.3 10.0 80 88 A E T 3 S+ 0 0 172 1,-0.3 -1,-0.1 37,-0.2 -7,-0.1 0.776 122.7 60.0 -65.1 -26.1 20.5 5.1 6.5 81 89 A T T 3 S- 0 0 69 2,-0.1 -1,-0.3 -9,-0.1 -13,-0.0 0.704 123.2-109.1 -70.6 -23.0 17.0 4.5 7.9 82 90 A G S < S+ 0 0 1 -3,-1.2 -13,-3.3 1,-0.3 -2,-0.1 0.221 70.8 145.1 111.1 -10.5 17.7 7.3 10.4 83 91 A D E -D 68 0A 66 -15,-0.3 -4,-2.6 -5,-0.1 2,-0.4 -0.302 32.0-166.6 -62.2 135.2 17.9 5.0 13.4 84 92 A V E -D 67 0A 6 -17,-1.8 -17,-0.6 -6,-0.2 -6,-0.1 -0.995 32.1-113.0-115.1 129.4 20.3 5.7 16.3 85 93 A C >> - 0 0 63 -2,-0.4 3,-1.1 -8,-0.4 4,-0.5 -0.355 23.9-133.6 -51.6 134.5 20.9 2.8 18.7 86 94 A I H >> S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 3,-1.2 0.835 98.0 68.3 -67.4 -31.4 19.4 4.0 22.0 87 95 A S H 34 S+ 0 0 82 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.679 99.3 50.2 -63.3 -19.8 22.4 2.9 24.1 88 96 A I H <4 S+ 0 0 42 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.643 115.0 43.8 -90.6 -16.1 24.5 5.6 22.6 89 97 A L H << S+ 0 0 1 -3,-1.2 14,-0.3 -4,-0.5 -2,-0.2 0.706 123.9 35.1 -95.1 -28.1 21.9 8.2 23.3 90 98 A H S < S- 0 0 68 -4,-2.5 -1,-0.2 13,-0.1 3,-0.1 -0.599 93.2-174.1-123.3 69.9 21.2 6.9 26.8 91 99 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.047 33.8 -79.1 -69.7 167.6 24.7 5.8 27.9 92 100 A P 0 0 130 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.482 360.0 360.0 -62.0 137.2 26.0 4.0 31.0 93 101 A V 0 0 185 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.950 360.0 360.0-129.5 360.0 26.3 6.4 34.0 94 ! 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 95 118 A Q > 0 0 145 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 154.5 14.6 12.8 33.0 96 119 A N H > + 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.828 360.0 45.5 -46.4 -57.2 15.2 10.2 30.3 97 120 A V H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.896 110.4 55.9 -60.8 -40.9 14.2 12.1 27.2 98 121 A R H > S+ 0 0 63 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.957 109.7 45.0 -55.2 -53.2 16.1 15.2 28.3 99 122 A T H X S+ 0 0 49 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.860 112.0 54.2 -58.5 -36.5 19.4 13.2 28.6 100 123 A I H X S+ 0 0 2 -4,-2.1 4,-1.5 -5,-0.2 3,-0.3 0.955 108.5 47.3 -59.2 -52.8 18.5 11.6 25.2 101 124 A L H X S+ 0 0 3 -4,-3.2 4,-1.4 1,-0.2 3,-0.5 0.918 109.9 54.3 -55.5 -43.2 18.2 15.1 23.6 102 125 A L H X S+ 0 0 95 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.817 103.9 54.7 -62.9 -36.0 21.5 16.1 25.2 103 126 A S H X S+ 0 0 16 -4,-1.9 4,-3.2 -14,-0.3 -1,-0.2 0.801 101.1 61.1 -62.1 -33.6 23.2 13.0 23.6 104 127 A V H X S+ 0 0 3 -4,-1.5 4,-2.2 -3,-0.5 -2,-0.2 0.942 106.6 43.1 -61.4 -47.6 22.0 14.2 20.2 105 128 A I H X S+ 0 0 44 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.922 116.8 50.4 -54.8 -46.6 23.9 17.5 20.5 106 129 A S H X S+ 0 0 79 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.917 112.0 44.1 -61.5 -47.7 26.8 15.5 21.8 107 130 A L H < S+ 0 0 18 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 111.1 54.8 -72.3 -33.3 26.8 12.9 19.0 108 131 A L H < S+ 0 0 7 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.919 112.5 43.9 -64.1 -44.7 26.4 15.6 16.3 109 132 A N H < S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.935 129.6 18.0 -67.6 -49.7 29.5 17.4 17.6 110 133 A E S < S- 0 0 126 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.885 77.6-145.5-132.2 103.7 31.7 14.4 18.1 111 134 A P - 0 0 16 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.093 15.7-126.2 -53.3 160.5 30.9 11.1 16.4 112 135 A N - 0 0 76 1,-0.1 3,-0.3 -5,-0.1 10,-0.0 -0.910 23.9-178.6-119.6 97.1 31.7 7.7 18.0 113 136 A T + 0 0 46 -2,-0.6 -1,-0.1 1,-0.2 13,-0.0 0.211 53.4 104.3 -84.6 15.3 33.8 5.5 15.8 114 137 A F S S- 0 0 191 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.992 108.0 -10.8 -58.5 -64.0 34.0 2.5 18.2 115 138 A S S S- 0 0 94 -3,-0.3 -1,-0.2 -38,-0.0 -2,-0.1 -0.715 89.8-151.2-136.5 86.7 31.5 0.4 16.2 116 139 A P - 0 0 33 0, 0.0 -39,-0.2 0, 0.0 3,-0.2 -0.226 22.8-150.4 -76.4 144.5 29.8 2.6 13.6 117 140 A A S S+ 0 0 25 -41,-1.4 2,-0.6 1,-0.3 -40,-0.2 0.884 100.5 36.4 -63.2 -46.0 26.3 2.4 12.0 118 141 A N > - 0 0 28 -42,-3.0 4,-1.0 -43,-0.2 -1,-0.3 -0.949 66.8-178.9-115.8 112.0 27.7 4.0 8.8 119 142 A V H > S+ 0 0 82 -2,-0.6 4,-3.8 2,-0.2 5,-0.2 0.866 83.7 55.5 -78.3 -38.6 31.3 2.9 8.0 120 143 A D H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 111.2 45.8 -59.1 -42.5 31.6 5.1 4.9 121 144 A A H > S+ 0 0 0 -46,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.824 114.8 49.4 -65.6 -32.7 30.7 8.1 7.0 122 145 A S H X S+ 0 0 6 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.930 108.2 49.8 -76.8 -47.7 33.2 6.8 9.7 123 146 A V H X S+ 0 0 68 -4,-3.8 4,-1.6 1,-0.2 -2,-0.2 0.868 115.4 46.9 -54.1 -40.0 36.1 6.2 7.2 124 147 A M H X S+ 0 0 17 -4,-1.8 4,-1.8 -5,-0.2 14,-0.4 0.853 108.5 53.2 -69.0 -40.0 35.4 9.8 6.0 125 148 A Y H X S+ 0 0 16 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.901 109.1 50.3 -64.8 -40.8 35.2 11.3 9.5 126 149 A R H >X S+ 0 0 109 -4,-2.4 4,-3.2 2,-0.2 3,-1.5 0.899 106.0 54.4 -61.4 -45.7 38.6 9.7 10.3 127 150 A K H 3X S+ 0 0 102 -4,-1.6 4,-1.5 1,-0.3 8,-0.3 0.893 104.2 57.3 -54.1 -38.7 40.2 11.2 7.1 128 151 A W H 3<>S+ 0 0 40 -4,-1.8 5,-1.4 1,-0.2 -1,-0.3 0.695 114.4 37.9 -65.9 -19.8 38.9 14.5 8.4 129 152 A K H <<5S+ 0 0 91 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.848 108.1 57.4 -97.8 -47.8 40.9 13.9 11.6 130 153 A E H <5S+ 0 0 147 -4,-3.2 2,-0.4 2,-0.1 -2,-0.2 0.781 114.8 47.1 -54.3 -31.8 44.1 12.2 10.3 131 154 A S T <5S- 0 0 28 -4,-1.5 2,-3.2 -5,-0.3 4,-0.1 -0.932 106.6-114.1-102.6 140.0 44.3 15.5 8.2 132 155 A K T 5S- 0 0 168 -2,-0.4 -3,-0.2 1,-0.2 -4,-0.1 -0.311 80.1 -56.4 -78.8 63.4 43.7 18.5 10.4 133 156 A G S + 0 0 130 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.428 51.2 102.0 -83.6 -3.9 36.7 18.7 3.6 137 160 A E H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.858 83.3 43.0 -54.7 -47.2 34.5 15.8 2.2 138 161 A Y H > S+ 0 0 12 -3,-0.5 4,-1.4 -14,-0.4 -1,-0.2 0.924 118.8 46.9 -65.9 -42.1 32.9 14.7 5.5 139 162 A T H > S+ 0 0 5 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.809 107.1 59.0 -64.0 -32.8 32.4 18.4 6.4 140 163 A D H X S+ 0 0 39 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.853 103.4 50.1 -67.6 -38.3 31.0 19.1 2.8 141 164 A I H X S+ 0 0 36 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.928 106.5 54.0 -71.3 -47.2 28.1 16.6 3.1 142 165 A I H X S+ 0 0 5 -4,-1.4 4,-4.2 2,-0.2 -1,-0.2 0.935 110.3 49.2 -44.2 -52.7 27.0 18.0 6.5 143 166 A R H X S+ 0 0 117 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.927 111.8 47.3 -57.3 -51.5 26.8 21.5 4.7 144 167 A K H X S+ 0 0 139 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.879 115.9 45.2 -53.1 -45.5 24.8 20.1 1.8 145 168 A Q H X S+ 0 0 48 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.948 110.8 54.6 -68.4 -46.3 22.5 18.4 4.2 146 169 A V H >< S+ 0 0 17 -4,-4.2 3,-0.6 -5,-0.2 -97,-0.3 0.921 112.9 41.0 -48.2 -49.8 22.3 21.5 6.4 147 170 A L H >< S+ 0 0 102 -4,-2.6 3,-1.5 1,-0.3 4,-0.5 0.827 105.5 63.1 -83.5 -24.3 21.2 23.7 3.5 148 171 A G H >X S+ 0 0 39 -4,-2.0 4,-0.7 -5,-0.2 3,-0.7 0.791 91.9 69.9 -55.8 -29.4 18.8 21.2 2.0 149 172 A T H S+ 0 0 99 -3,-0.7 4,-1.6 -4,-0.5 3,-0.8 0.924 109.2 45.5 -46.6 -50.0 13.4 23.3 2.0 152 175 A D H 3X S+ 0 0 41 -4,-0.7 4,-0.8 1,-0.3 2,-0.6 0.872 111.2 55.0 -62.2 -38.3 11.9 21.4 5.0 153 176 A A H 3< S+ 0 0 25 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.1 -0.423 107.4 47.4 -97.6 49.4 11.9 24.7 7.0 154 177 A E H <4 S+ 0 0 156 -3,-0.8 -1,-0.2 -2,-0.6 -2,-0.2 0.057 101.5 64.4-140.5 -32.5 9.9 26.5 4.4 155 178 A R H < S- 0 0 143 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.1 0.747 139.5 -10.4 -60.0 -27.8 7.5 23.6 4.3 156 179 A D S < S- 0 0 89 -4,-0.8 2,-0.2 -5,-0.1 -3,-0.2 0.409 105.6-171.9-133.5 -62.3 6.8 24.6 7.9 157 180 A G 0 0 17 -5,-0.4 -3,-0.1 1,-0.1 -2,-0.1 -0.696 360.0 360.0 132.1-167.3 9.4 27.2 9.1 158 181 A V 0 0 174 -2,-0.2 -1,-0.1 -5,-0.1 -4,-0.1 0.902 360.0 360.0 89.5 360.0 11.3 29.5 11.6