==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-DEC-09 3L1Z . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 D3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BENIRSCHKE,J.R.THOMPSON,G.MER . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 64.3 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 . 33 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 17 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 1 0 1 1 1 0 1 0 0 0 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 . 4 1 1 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 . 0 2 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 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 -4 A H > 0 0 170 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 170.2 -72.4 35.6 13.5 2 -3 A H H > + 0 0 125 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.861 360.0 56.5 -79.8 -39.3 -72.0 32.0 14.8 3 -2 A M H > S+ 0 0 106 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.629 106.4 56.7 -66.3 -11.5 -68.5 31.8 13.2 4 -1 A N H > S+ 0 0 62 2,-0.2 4,-2.5 3,-0.1 -2,-0.2 0.945 104.9 44.7 -79.8 -59.6 -67.8 34.9 15.4 5 0 A S H X S+ 0 0 72 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.868 116.1 51.5 -52.8 -38.2 -68.7 33.5 18.8 6 1 A M H X S+ 0 0 115 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.976 107.0 48.9 -63.4 -58.7 -66.8 30.3 17.8 7 2 A A H X S+ 0 0 3 -4,-1.3 4,-2.7 56,-0.3 -2,-0.2 0.889 113.1 51.6 -47.2 -43.0 -63.6 32.1 16.8 8 3 A L H X S+ 0 0 53 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.944 103.8 54.7 -59.7 -52.3 -63.9 34.0 20.1 9 4 A K H X S+ 0 0 165 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.871 112.0 46.2 -51.6 -40.0 -64.2 30.9 22.2 10 5 A R H X S+ 0 0 63 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.972 108.4 53.8 -65.1 -56.1 -61.0 29.6 20.6 11 6 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.879 107.1 55.0 -44.4 -45.6 -59.2 32.9 21.1 12 7 A N H X S+ 0 0 66 -4,-2.8 4,-2.5 2,-0.2 3,-0.4 0.956 106.5 47.9 -54.5 -56.9 -60.1 32.7 24.8 13 8 A K H X S+ 0 0 138 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.918 108.4 55.9 -51.5 -47.0 -58.6 29.2 25.3 14 9 A E H X S+ 0 0 8 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.898 110.4 45.5 -53.0 -42.1 -55.4 30.4 23.6 15 10 A L H >< S+ 0 0 38 -4,-1.9 3,-0.6 -3,-0.4 4,-0.3 0.873 111.2 51.3 -70.3 -38.8 -55.2 33.2 26.1 16 11 A S H 3X S+ 0 0 57 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.762 108.7 53.7 -68.2 -24.6 -56.0 30.9 29.0 17 12 A D H 3< S+ 0 0 57 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.618 101.3 57.5 -86.8 -15.0 -53.2 28.7 27.7 18 13 A L T << S+ 0 0 21 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.480 109.0 48.1 -88.7 -5.8 -50.7 31.5 27.7 19 14 A A T 4 S+ 0 0 77 -4,-0.3 -2,-0.2 -3,-0.3 -3,-0.1 0.825 112.9 43.7 -93.9 -48.5 -51.4 31.9 31.4 20 15 A R S < S+ 0 0 217 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.523 137.1 18.6 -69.2 -4.9 -51.1 28.2 32.3 21 16 A D S S- 0 0 87 -5,-0.1 -1,-0.3 2,-0.0 -2,-0.1 -0.593 70.8-162.8-170.9 100.0 -48.0 28.5 30.0 22 17 A P - 0 0 90 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.771 27.5-122.7 -87.3 131.4 -46.1 31.7 29.0 23 18 A P > - 0 0 14 0, 0.0 3,-1.3 0, 0.0 2,-0.4 -0.152 47.9 -66.6 -64.7 165.1 -43.8 31.3 25.9 24 19 A A T 3 S- 0 0 72 1,-0.3 19,-0.1 18,-0.0 3,-0.1 -0.383 111.6 -24.5 -63.4 112.7 -40.1 32.1 26.1 25 20 A Q T 3 S+ 0 0 78 -2,-0.4 18,-1.4 1,-0.2 2,-0.4 0.555 113.9 123.0 65.3 7.6 -39.6 35.9 26.7 26 21 A C E < +A 42 0A 7 -3,-1.3 2,-0.3 16,-0.2 -1,-0.2 -0.834 35.0 174.0-110.7 140.1 -43.0 36.4 25.1 27 22 A S E +A 41 0A 62 14,-1.9 14,-3.0 -2,-0.4 2,-0.3 -0.997 3.2 170.2-144.2 135.4 -46.1 38.1 26.5 28 23 A A E +A 40 0A 16 -2,-0.3 12,-0.2 12,-0.3 -10,-0.1 -0.991 2.6 159.5-151.3 138.4 -49.5 38.9 24.9 29 24 A G E -A 39 0A 2 10,-2.0 10,-2.7 -2,-0.3 2,-0.1 -0.969 44.9 -83.2-150.5 163.7 -52.9 40.1 26.0 30 25 A P E -A 38 0A 14 0, 0.0 2,-0.4 0, 0.0 8,-0.3 -0.416 42.8-114.9 -66.9 145.9 -56.0 41.8 24.7 31 26 A V S S- 0 0 52 6,-3.1 7,-0.1 3,-0.5 126,-0.1 0.130 72.2 -82.6 -69.8 26.1 -55.9 45.6 24.5 32 27 A G S S+ 0 0 28 -2,-0.4 2,-2.8 122,-0.3 -1,-0.2 0.598 106.5 9.7 76.3 126.9 -58.6 45.5 27.1 33 28 A D S S+ 0 0 177 -3,-0.1 2,-0.6 2,-0.1 -1,-0.2 -0.253 110.2 83.4 74.0 -55.2 -62.3 45.0 26.3 34 29 A D - 0 0 81 -2,-2.8 -3,-0.5 1,-0.2 3,-0.5 -0.736 57.3-172.8 -84.9 121.6 -61.6 44.1 22.7 35 30 A M S S+ 0 0 35 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.765 79.9 59.3 -86.0 -28.4 -60.8 40.4 22.4 36 31 A F S S+ 0 0 40 1,-0.1 25,-2.3 24,-0.1 2,-0.5 0.334 99.2 71.3 -84.4 8.8 -59.8 40.4 18.7 37 32 A H E + B 0 60A 45 -3,-0.5 -6,-3.1 23,-0.2 2,-0.3 -0.949 62.1 164.8-131.3 112.2 -57.2 42.9 19.4 38 33 A W E -AB 30 59A 0 21,-2.8 21,-3.1 -2,-0.5 2,-0.4 -0.849 25.7-145.1-122.0 157.3 -54.0 42.0 21.4 39 34 A Q E -AB 29 58A 38 -10,-2.7 -10,-2.0 -2,-0.3 2,-0.3 -0.950 18.0-158.3-116.2 146.6 -50.6 43.5 21.9 40 35 A A E -AB 28 57A 0 17,-1.5 17,-2.4 -2,-0.4 2,-0.3 -0.873 2.4-156.3-121.1 156.7 -47.5 41.3 22.3 41 36 A T E -AB 27 56A 4 -14,-3.0 -14,-1.9 -2,-0.3 2,-0.4 -0.973 3.2-165.3-132.0 148.3 -44.1 41.9 23.8 42 37 A I E -AB 26 55A 0 13,-0.8 13,-2.0 -2,-0.3 -16,-0.2 -0.997 17.2-148.3-139.0 132.6 -40.8 40.3 23.2 43 38 A M - 0 0 66 -18,-1.4 9,-1.1 -2,-0.4 11,-0.1 0.257 49.1-108.1 -87.7 14.3 -37.6 40.5 25.4 44 39 A G - 0 0 0 7,-0.2 8,-0.9 -19,-0.1 4,-0.1 0.919 41.7 -96.8 57.7 100.0 -35.2 40.3 22.5 45 40 A P > - 0 0 5 0, 0.0 3,-0.8 0, 0.0 5,-0.2 0.074 21.0-129.2 -42.2 152.1 -33.5 36.9 22.5 46 41 A N T 3 S+ 0 0 103 1,-0.2 5,-0.0 5,-0.1 -2,-0.0 0.510 108.3 61.7 -86.2 -5.8 -30.1 36.7 24.2 47 42 A D T 3 S+ 0 0 128 3,-0.0 -1,-0.2 70,-0.0 -3,-0.0 0.012 102.2 69.0-102.2 24.3 -28.7 35.0 21.1 48 43 A S S X S- 0 0 13 -3,-0.8 3,-1.1 -4,-0.1 68,-0.1 -0.878 89.9-113.6-136.4 166.1 -29.5 38.1 19.1 49 44 A P T 3 S+ 0 0 14 0, 0.0 98,-0.2 0, 0.0 67,-0.1 0.488 112.6 68.5 -75.7 -3.8 -28.3 41.7 18.7 50 45 A Y T > + 0 0 0 65,-0.2 3,-1.5 -5,-0.2 -4,-0.1 0.395 68.3 141.3 -96.4 0.9 -31.7 42.7 20.1 51 46 A Q T < S+ 0 0 105 -3,-1.1 2,-0.2 1,-0.2 -7,-0.2 -0.175 71.1 16.4 -44.0 125.1 -30.9 41.3 23.5 52 47 A G T 3 S+ 0 0 43 -9,-1.1 -1,-0.2 -8,-0.9 -8,-0.1 -0.284 97.7 109.7 104.2 -47.5 -32.3 43.7 26.1 53 48 A G < - 0 0 0 -3,-1.5 2,-0.6 -2,-0.2 -1,-0.3 -0.312 60.5-138.0 -67.7 145.2 -34.8 45.6 23.9 54 49 A V - 0 0 20 97,-1.8 2,-0.5 93,-0.2 -11,-0.2 -0.920 17.8-162.6-107.8 120.2 -38.5 45.2 24.3 55 50 A F E -B 42 0A 0 -13,-2.0 -13,-0.8 -2,-0.6 2,-0.3 -0.888 5.2-148.4-111.6 122.6 -40.5 45.0 21.1 56 51 A F E -B 41 0A 0 -2,-0.5 19,-3.1 -15,-0.2 20,-1.3 -0.618 14.8-173.4 -91.8 145.0 -44.3 45.6 20.9 57 52 A L E -BC 40 74A 2 -17,-2.4 -17,-1.5 17,-0.3 2,-0.4 -0.856 17.9-136.5-128.3 163.3 -46.6 43.9 18.4 58 53 A T E -BC 39 73A 30 15,-2.5 15,-1.3 -2,-0.3 2,-0.6 -0.992 14.0-162.7-123.0 127.4 -50.2 44.2 17.5 59 54 A I E -BC 38 72A 2 -21,-3.1 -21,-2.8 -2,-0.4 2,-0.6 -0.933 4.9-173.6-111.7 116.4 -52.3 41.1 16.9 60 55 A H E -BC 37 71A 84 11,-3.7 11,-2.2 -2,-0.6 -23,-0.2 -0.938 16.6-145.4-110.1 113.3 -55.6 41.5 15.0 61 56 A F - 0 0 15 -25,-2.3 -25,-0.1 -2,-0.6 -2,-0.0 -0.626 14.0-125.2 -81.3 128.4 -57.6 38.3 14.9 62 57 A P > - 0 0 28 0, 0.0 3,-1.3 0, 0.0 6,-0.1 -0.304 19.8-122.6 -59.1 153.6 -59.7 37.6 11.7 63 58 A T T 3 S+ 0 0 69 1,-0.3 -56,-0.3 3,-0.1 -55,-0.1 0.657 115.5 59.0 -72.5 -13.7 -63.4 36.9 12.4 64 59 A D T >> S- 0 0 56 5,-0.1 3,-1.9 -57,-0.1 4,-0.6 0.183 94.5-179.4 -97.4 14.5 -62.7 33.6 10.7 65 60 A Y T <4 + 0 0 4 -3,-1.3 -55,-0.2 1,-0.3 -54,-0.1 -0.322 57.9 13.7 -61.9 143.1 -60.0 32.6 13.2 66 61 A P T 34 S+ 0 0 15 0, 0.0 -1,-0.3 0, 0.0 36,-0.1 -0.923 122.0 63.2 -93.2 17.4 -58.4 30.2 13.4 67 62 A F T <4 S+ 0 0 161 -3,-1.9 -2,-0.2 1,-0.1 31,-0.0 0.786 111.3 43.1 -70.1 -26.8 -59.4 29.3 9.8 68 63 A K S < S- 0 0 118 -4,-0.6 -1,-0.1 -6,-0.1 31,-0.1 -0.977 101.3-104.6-119.6 137.2 -57.7 32.4 8.7 69 64 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.154 36.7-107.2 -57.9 146.9 -54.3 33.5 10.0 70 65 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.592 28.4-121.9 -78.8 134.1 -54.1 36.4 12.5 71 66 A K E +C 60 0A 167 -11,-2.2 -11,-3.7 -2,-0.3 2,-0.3 -0.650 44.4 165.9 -75.2 123.0 -52.7 39.7 11.3 72 67 A V E +C 59 0A 23 -2,-0.5 17,-0.5 -13,-0.2 2,-0.3 -0.998 7.0 152.8-144.2 145.3 -49.7 40.7 13.4 73 68 A A E -C 58 0A 25 -15,-1.3 -15,-2.5 -2,-0.3 15,-0.2 -0.982 41.7 -86.2-164.8 160.6 -46.8 43.2 13.1 74 69 A F E -C 57 0A 6 13,-2.6 -17,-0.3 -2,-0.3 4,-0.1 -0.441 19.4-175.3 -74.6 145.6 -44.4 45.2 15.1 75 70 A T S S+ 0 0 15 -19,-3.1 2,-0.3 -2,-0.1 -18,-0.2 0.675 72.6 77.2 -99.2 -35.8 -45.1 48.7 16.5 76 71 A T S S- 0 0 1 -20,-1.3 75,-0.1 1,-0.1 -2,-0.1 -0.565 90.9-115.4 -76.3 132.1 -41.5 49.1 17.7 77 72 A R + 0 0 47 -2,-0.3 2,-0.3 73,-0.1 -1,-0.1 -0.353 41.7 176.6 -62.7 148.1 -38.9 49.9 15.1 78 73 A I - 0 0 2 5,-0.1 2,-0.8 2,-0.1 5,-0.1 -0.961 33.8-123.3-160.4 136.6 -36.3 47.2 14.7 79 74 A Y + 0 0 21 64,-0.3 5,-0.1 -2,-0.3 68,-0.1 -0.744 58.3 126.7 -86.5 109.1 -33.3 46.6 12.5 80 75 A H B > -D 83 0B 0 -2,-0.8 3,-0.9 3,-0.5 48,-0.1 -0.972 62.8-127.2-162.9 145.7 -33.9 43.3 10.7 81 76 A P T 3 S+ 0 0 0 0, 0.0 44,-2.7 0, 0.0 43,-2.4 0.690 111.1 45.3 -70.9 -18.7 -34.0 42.0 7.1 82 77 A N T 3 S+ 0 0 2 42,-0.2 8,-1.3 41,-0.2 2,-0.4 0.237 104.0 68.0-112.4 11.2 -37.4 40.5 7.5 83 78 A I B < -DE 80 89B 1 -3,-0.9 -3,-0.5 6,-0.2 6,-0.2 -0.990 67.6-161.5-134.1 124.3 -39.2 43.4 9.3 84 79 A N > - 0 0 33 4,-1.1 3,-1.0 -2,-0.4 -10,-0.1 -0.468 38.7 -86.4-106.3 174.8 -39.8 46.7 7.5 85 80 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.0 -2,-0.1 40,-0.0 0.751 125.1 54.5 -48.1 -32.8 -40.7 50.3 8.4 86 81 A N T 3 S- 0 0 126 2,-0.0 -1,-0.3 -9,-0.0 -13,-0.0 0.900 119.4-107.2 -69.7 -41.6 -44.4 49.5 8.6 87 82 A G < + 0 0 1 -3,-1.0 -13,-2.6 1,-0.2 -2,-0.1 0.299 64.0 156.1 126.4 0.1 -43.9 46.6 11.1 88 83 A S - 0 0 45 -15,-0.2 -4,-1.1 1,-0.1 2,-0.4 -0.237 28.9-149.7 -61.1 141.8 -44.5 43.8 8.6 89 84 A I B -E 83 0B 24 -17,-0.5 2,-0.9 -6,-0.2 -6,-0.2 -0.905 9.0-137.3-115.9 143.8 -43.0 40.4 9.4 90 85 A C + 0 0 39 -8,-1.3 2,-0.4 -2,-0.4 29,-0.1 -0.723 47.6 137.6-105.1 83.7 -41.9 37.8 6.9 91 86 A L >> - 0 0 16 -2,-0.9 3,-1.5 1,-0.1 4,-0.5 -0.994 46.6-151.8-126.6 124.9 -43.1 34.4 8.2 92 87 A D G >4 S+ 0 0 110 -2,-0.4 3,-1.8 1,-0.3 6,-0.2 0.881 98.8 68.9 -58.9 -35.3 -44.7 31.8 6.0 93 88 A I G 34 S+ 0 0 41 1,-0.3 -1,-0.3 4,-0.1 4,-0.2 0.778 100.9 46.5 -51.4 -30.0 -46.5 30.7 9.1 94 89 A L G <4 S+ 0 0 21 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.518 121.2 34.6 -95.8 -7.8 -48.5 34.0 8.9 95 90 A R S X< S- 0 0 199 -3,-1.8 2,-1.9 -4,-0.5 3,-1.8 -0.217 127.1 -16.9-116.6-147.7 -49.3 33.7 5.2 96 91 A S T 3 S+ 0 0 116 1,-0.3 -2,-0.1 -2,-0.1 -3,-0.1 -0.390 127.9 59.7 -61.9 85.9 -50.0 30.7 2.9 97 92 A Q T 3 S+ 0 0 128 -2,-1.9 2,-0.4 -4,-0.2 -1,-0.3 0.141 72.8 126.9 168.3 -0.8 -48.6 28.2 5.4 98 93 A W < - 0 0 29 -3,-1.8 -1,-0.1 -6,-0.2 -4,-0.1 -0.640 39.5-164.6 -81.0 130.4 -50.9 28.8 8.3 99 94 A S > - 0 0 56 -2,-0.4 3,-2.4 -6,-0.1 -31,-0.1 -0.922 29.7-124.6-114.5 143.1 -52.8 25.9 9.8 100 95 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.701 112.6 65.4 -57.3 -18.5 -55.8 26.1 12.1 101 96 A A T 3 S+ 0 0 64 2,-0.1 -3,-0.0 -35,-0.0 2,-0.0 0.746 83.6 96.3 -73.9 -25.1 -53.7 24.0 14.5 102 97 A L < - 0 0 37 -3,-2.4 2,-0.3 -36,-0.1 3,-0.1 -0.334 60.4-165.4 -64.3 146.2 -51.2 26.8 14.8 103 98 A T > - 0 0 28 1,-0.1 4,-2.3 -89,-0.0 5,-0.1 -0.864 34.7-107.1-131.5 165.2 -51.7 29.1 17.8 104 99 A I H > S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.960 119.0 57.2 -53.1 -55.8 -50.5 32.5 18.9 105 100 A S H > S+ 0 0 16 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.885 109.9 46.6 -42.5 -46.9 -48.2 31.0 21.5 106 101 A K H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.927 108.9 54.1 -63.1 -46.7 -46.5 29.1 18.6 107 102 A V H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.885 102.2 56.5 -58.7 -44.3 -46.2 32.1 16.4 108 103 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.902 108.4 48.6 -55.5 -43.0 -44.4 34.2 18.9 109 104 A L H X S+ 0 0 74 -4,-1.2 4,-3.2 -5,-0.3 -1,-0.2 0.939 107.1 54.7 -61.4 -47.6 -41.7 31.5 19.2 110 105 A S H < S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.6 48.6 -54.9 -31.9 -41.5 31.4 15.4 111 106 A I H >X S+ 0 0 2 -4,-1.8 4,-1.6 -5,-0.2 3,-1.0 0.867 110.7 48.1 -77.1 -40.1 -40.8 35.1 15.6 112 107 A C H 3X S+ 0 0 15 -4,-2.2 4,-1.5 1,-0.3 3,-0.5 0.950 107.0 55.4 -64.4 -48.7 -38.2 34.9 18.3 113 108 A S H 3< S+ 0 0 77 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.331 108.9 53.0 -68.7 11.7 -36.3 32.1 16.4 114 109 A L H <4 S+ 0 0 4 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.669 100.9 54.8-110.2 -39.0 -36.3 34.6 13.6 115 110 A L H < S+ 0 0 1 -4,-1.6 -65,-0.2 -3,-0.5 -2,-0.2 0.747 113.6 45.9 -64.9 -23.8 -34.7 37.4 15.5 116 111 A C S < S+ 0 0 34 -4,-1.5 -1,-0.2 1,-0.3 -3,-0.1 0.863 130.5 18.8 -85.7 -38.7 -32.0 35.0 16.3 117 112 A D S S- 0 0 96 -5,-0.2 -1,-0.3 -4,-0.2 2,-0.1 -0.913 77.5-160.7-139.8 112.9 -31.7 33.7 12.8 118 113 A P - 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