==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-APR-13 4K1B . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,H.WALLWEBER,M.STEFFEK . 273 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 0 2 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 33 A P 0 0 121 0, 0.0 2,-0.1 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 148.2 -39.7 14.2 -16.2 2 34 A L > + 0 0 26 1,-0.0 4,-1.1 4,-0.0 3,-0.0 -0.849 360.0 30.6-121.9 -19.9 -39.7 13.3 -13.5 3 35 A E T 4 S+ 0 0 81 1,-0.2 5,-0.1 2,-0.2 -1,-0.0 0.705 121.4 59.2 -68.1 -21.6 -41.2 15.3 -10.7 4 36 A S T 4 S+ 0 0 92 1,-0.2 -1,-0.2 3,-0.1 22,-0.1 0.864 105.2 45.6 -73.0 -39.0 -43.6 16.5 -13.4 5 37 A Q T 4 S+ 0 0 67 1,-0.1 21,-1.8 20,-0.1 2,-0.4 0.706 119.5 32.8 -81.5 -21.7 -44.8 13.0 -14.3 6 38 A Y E < -A 25 0A 7 -4,-1.1 2,-0.7 19,-0.2 19,-0.2 -0.989 66.4-136.7-137.9 143.5 -45.4 11.8 -10.7 7 39 A Q E -A 24 0A 126 17,-2.1 17,-1.3 -2,-0.4 2,-0.2 -0.907 31.8-135.1 -97.3 117.9 -46.4 13.3 -7.4 8 40 A V E -A 23 0A 62 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.498 26.0-175.7 -74.6 135.8 -44.2 11.9 -4.7 9 41 A G E - 0 0 34 13,-3.9 -1,-0.1 1,-0.3 3,-0.1 -0.116 40.5 -30.1-108.7-150.8 -45.8 10.7 -1.5 10 42 A P E - 0 0 92 0, 0.0 12,-3.0 0, 0.0 -1,-0.3 -0.268 66.9 -99.9 -67.0 150.3 -44.5 9.3 1.8 11 43 A L E -A 21 0A 95 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.524 35.7-170.0 -61.5 133.8 -41.3 7.3 2.1 12 44 A L E - 0 0 106 8,-3.7 2,-0.3 1,-0.4 9,-0.2 0.821 58.3 -23.6 -98.3 -42.3 -42.4 3.7 2.3 13 45 A G E -A 20 0A 35 7,-1.2 7,-2.4 2,-0.0 -1,-0.4 -0.982 56.4-157.2-166.1 163.5 -39.1 2.0 3.2 14 46 A S E +A 19 0A 90 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.998 17.7 149.8-154.1 145.8 -35.4 2.3 3.1 15 47 A G - 0 0 41 3,-2.2 3,-0.4 -2,-0.3 -2,-0.0 -0.874 64.4 -88.8-151.8-174.6 -32.1 0.5 3.2 16 48 A G S S+ 0 0 78 -2,-0.3 22,-0.2 1,-0.2 3,-0.1 0.751 128.0 68.9 -71.2 -23.8 -28.6 0.9 1.8 17 49 A F S S- 0 0 66 1,-0.2 2,-0.3 20,-0.1 -1,-0.2 0.883 119.4 -73.8 -53.2 -45.7 -30.3 -0.9 -1.0 18 50 A G - 0 0 12 -3,-0.4 -3,-2.2 19,-0.1 2,-0.4 -0.958 38.3 -87.4 164.6 177.1 -32.5 2.1 -1.7 19 51 A S E -AB 14 36A 40 17,-1.8 17,-3.1 -2,-0.3 2,-0.5 -0.969 32.6-162.5-119.7 130.5 -35.3 4.5 -0.8 20 52 A V E -AB 13 35A 38 -7,-2.4 -8,-3.7 -2,-0.4 -7,-1.2 -0.954 5.1-169.0-121.4 121.9 -38.8 3.8 -1.9 21 53 A Y E -AB 11 34A 77 13,-3.0 13,-3.5 -2,-0.5 -10,-0.2 -0.811 25.7-118.3-107.9 146.7 -41.6 6.4 -2.0 22 54 A S E + B 0 33A 17 -12,-3.0 -13,-3.9 -2,-0.3 2,-0.3 -0.592 46.8 173.0 -72.4 147.5 -45.3 6.1 -2.6 23 55 A G E -AB 8 32A 1 9,-2.5 9,-2.3 -15,-0.2 2,-0.4 -0.934 30.3-140.0-153.0 165.1 -46.3 7.9 -5.7 24 56 A I E -AB 7 31A 58 -17,-1.3 -17,-2.1 -2,-0.3 2,-0.7 -0.999 23.8-126.4-132.4 138.7 -49.1 8.7 -8.1 25 57 A R E >> -A 6 0A 64 5,-2.7 3,-1.5 -2,-0.4 4,-0.8 -0.733 28.3-132.3 -83.7 115.6 -48.8 9.0 -11.8 26 58 A V T 34 S+ 0 0 60 -21,-1.8 4,-0.0 -2,-0.7 -1,-0.0 -0.498 96.7 38.0 -65.4 140.0 -50.3 12.3 -12.7 27 59 A S T 34 S+ 0 0 104 -2,-0.1 -1,-0.3 2,-0.0 -21,-0.0 0.546 129.8 32.1 89.0 9.1 -52.6 11.6 -15.6 28 60 A D T <4 S- 0 0 79 -3,-1.5 -2,-0.2 2,-0.1 -4,-0.0 0.726 84.4-140.1-120.9 -52.9 -53.7 8.3 -14.1 29 61 A N < + 0 0 113 -4,-0.8 -3,-0.2 1,-0.2 3,-0.0 0.136 42.2 167.9 -85.4 94.5 -53.5 8.8 -11.3 30 62 A L - 0 0 61 -5,-0.5 -5,-2.7 1,-0.1 2,-0.2 -0.461 40.3-112.7 -71.6 132.4 -52.2 5.3 -11.1 31 63 A P E +B 24 0A 43 0, 0.0 59,-1.2 0, 0.0 2,-0.3 -0.505 47.7 168.5 -65.1 127.8 -50.6 4.2 -7.8 32 64 A V E -BC 23 89A 0 -9,-2.3 -9,-2.5 -2,-0.2 2,-0.4 -0.914 32.6-131.6-135.0 166.2 -46.9 3.7 -8.2 33 65 A A E -BC 22 88A 11 55,-2.6 55,-3.1 -2,-0.3 2,-0.7 -0.978 18.3-149.6-116.2 136.2 -43.8 3.1 -6.0 34 66 A I E -BC 21 87A 7 -13,-3.5 -13,-3.0 -2,-0.4 2,-0.5 -0.904 12.3-167.5-111.5 109.3 -40.7 5.2 -6.7 35 67 A K E -BC 20 86A 18 51,-2.7 51,-3.4 -2,-0.7 2,-0.4 -0.854 1.1-164.4-102.3 124.8 -37.4 3.6 -5.9 36 68 A H E -BC 19 85A 41 -17,-3.1 -17,-1.8 -2,-0.5 2,-0.4 -0.878 6.2-175.3-104.9 135.2 -34.2 5.6 -5.8 37 69 A V E - C 0 84A 10 47,-2.4 47,-2.2 -2,-0.4 2,-0.1 -0.975 22.5-128.8-135.7 124.1 -30.8 3.9 -5.9 38 70 A E E > - C 0 83A 133 -2,-0.4 3,-0.9 45,-0.2 4,-0.5 -0.434 14.4-135.6 -67.7 136.7 -27.4 5.6 -5.6 39 71 A K G > S+ 0 0 42 43,-2.4 3,-1.0 1,-0.2 44,-0.1 0.839 103.9 58.7 -61.9 -35.0 -24.9 4.7 -8.3 40 72 A D G 3 S+ 0 0 147 42,-0.4 -1,-0.2 1,-0.2 43,-0.1 0.761 104.1 52.5 -65.5 -25.6 -22.1 4.3 -5.8 41 73 A R G < S+ 0 0 59 -3,-0.9 2,-0.6 -25,-0.0 -1,-0.2 0.540 84.3 105.9 -89.2 -8.1 -24.1 1.6 -4.0 42 74 A I < + 0 0 25 -3,-1.0 3,-0.1 -4,-0.5 -25,-0.0 -0.634 42.8 179.2 -81.4 119.1 -24.7 -0.4 -7.2 43 75 A S + 0 0 106 -2,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.973 64.1 34.0 -82.5 -66.4 -22.6 -3.6 -7.3 44 76 A D - 0 0 60 0, 0.0 12,-2.1 0, 0.0 13,-0.4 -0.787 67.3-167.3-102.0 138.9 -23.5 -5.4 -10.6 45 77 A W E -E 55 0B 63 -2,-0.4 2,-0.2 10,-0.3 8,-0.1 -0.774 2.1-166.5-116.3 159.4 -24.4 -3.6 -13.8 46 78 A G E -E 54 0B 13 8,-4.1 8,-2.1 -2,-0.3 2,-0.4 -0.761 21.5-104.6-135.2-177.5 -25.9 -4.8 -17.1 47 79 A E E -E 53 0B 122 -2,-0.2 6,-0.2 6,-0.2 0, 0.0 -0.931 23.5-137.3-116.3 136.7 -26.5 -3.8 -20.6 48 80 A L > - 0 0 10 4,-1.7 3,-2.6 -2,-0.4 4,-0.4 -0.573 30.5-109.5 -83.7 153.9 -29.8 -2.7 -22.2 49 81 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.859 122.2 55.2 -47.9 -41.4 -30.9 -3.9 -25.6 50 82 A N T 3 S- 0 0 129 1,-0.1 -3,-0.0 2,-0.0 -2,-0.0 0.486 128.6 -99.8 -73.7 -2.7 -30.2 -0.4 -27.0 51 83 A G < + 0 0 44 -3,-2.6 2,-0.3 1,-0.2 -1,-0.1 0.955 69.8 147.5 85.5 59.0 -26.7 -0.6 -25.6 52 84 A T - 0 0 40 -4,-0.4 -4,-1.7 2,-0.0 2,-0.5 -0.943 51.5-114.8-129.1 146.6 -26.7 1.3 -22.3 53 85 A R E +E 47 0B 153 -2,-0.3 -6,-0.2 -6,-0.2 -8,-0.0 -0.692 53.0 152.9 -77.4 122.3 -25.0 1.0 -18.9 54 86 A V E -E 46 0B 0 -8,-2.1 -8,-4.1 -2,-0.5 2,-0.1 -0.981 49.8 -86.1-153.4 149.1 -27.6 0.2 -16.3 55 87 A P E >> -E 45 0B 5 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.411 39.1-121.9 -60.8 139.8 -28.0 -1.5 -12.9 56 88 A M H 3> S+ 0 0 19 -12,-2.1 4,-2.9 1,-0.3 5,-0.3 0.825 111.0 66.9 -50.6 -36.3 -28.6 -5.3 -13.2 57 89 A E H 3> S+ 0 0 22 -13,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.875 100.7 48.3 -52.8 -41.8 -31.8 -4.8 -11.3 58 90 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.913 110.3 51.0 -67.7 -43.4 -33.2 -2.8 -14.3 59 91 A V H X S+ 0 0 17 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.949 114.5 43.7 -55.5 -51.5 -32.1 -5.5 -16.8 60 92 A L H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.896 111.9 52.7 -63.8 -43.0 -33.8 -8.2 -14.7 61 93 A L H X S+ 0 0 6 -4,-2.5 4,-1.9 -5,-0.3 13,-0.4 0.909 108.4 51.2 -61.2 -43.0 -37.0 -6.2 -14.1 62 94 A K H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.913 107.4 52.1 -59.2 -45.9 -37.4 -5.5 -17.8 63 95 A K H < S+ 0 0 97 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.774 119.2 36.6 -63.6 -29.5 -37.1 -9.2 -18.7 64 96 A V H < S+ 0 0 0 -4,-1.3 2,-1.5 -3,-0.3 4,-0.3 0.684 92.6 87.4 -99.0 -15.4 -39.8 -10.1 -16.2 65 97 A S < + 0 0 24 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.238 49.8 120.5 -83.2 52.4 -42.2 -7.2 -16.4 66 98 A S S S- 0 0 94 -2,-1.5 -1,-0.2 -3,-0.2 3,-0.1 0.158 91.1 -75.2-107.1 19.7 -44.4 -8.4 -19.3 67 99 A G S S+ 0 0 46 1,-0.4 2,-0.5 -3,-0.2 -2,-0.1 0.217 87.1 126.7 114.7 -18.9 -47.9 -8.6 -17.8 68 100 A F > - 0 0 72 -4,-0.3 3,-1.1 1,-0.1 -1,-0.4 -0.656 54.8-144.7 -69.0 122.7 -47.9 -11.7 -15.6 69 101 A S T 3 S+ 0 0 45 -2,-0.5 -1,-0.1 1,-0.2 53,-0.1 0.380 80.3 90.2 -79.3 6.3 -49.1 -10.2 -12.3 70 102 A G T 3 S+ 0 0 7 81,-0.1 82,-2.3 51,-0.1 2,-0.4 0.599 88.3 50.4 -78.1 -10.6 -47.0 -12.4 -10.0 71 103 A V B < S-f 152 0C 0 -3,-1.1 2,-0.4 80,-0.3 82,-0.2 -0.978 93.9-110.1-126.0 139.6 -44.2 -9.9 -10.1 72 104 A I - 0 0 6 80,-2.2 2,-0.2 -2,-0.4 82,-0.1 -0.569 46.2-131.1 -64.3 124.6 -44.3 -6.2 -9.5 73 105 A R - 0 0 58 -2,-0.4 16,-1.7 -8,-0.1 2,-0.6 -0.545 1.2-126.1 -88.3 145.0 -43.7 -4.6 -12.9 74 106 A L E -D 88 0A 22 -13,-0.4 14,-0.2 -2,-0.2 3,-0.1 -0.798 26.1-179.6 -84.4 118.2 -41.3 -1.9 -13.8 75 107 A L E - 0 0 61 12,-2.8 2,-0.3 -2,-0.6 13,-0.2 0.788 62.6 -23.8 -91.2 -31.5 -43.3 0.8 -15.6 76 108 A D E -D 87 0A 57 11,-1.2 11,-2.8 2,-0.0 -1,-0.3 -0.965 56.8-154.7-167.6 169.1 -40.5 3.2 -16.3 77 109 A W E -D 86 0A 56 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.988 2.9-157.7-155.2 157.7 -37.0 4.3 -15.2 78 110 A F E -D 85 0A 34 7,-2.4 7,-3.0 -2,-0.3 2,-0.5 -0.992 12.6-139.1-138.6 144.1 -34.7 7.3 -15.2 79 111 A E E -D 84 0A 106 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.909 24.2-178.0-101.6 130.9 -31.0 8.0 -14.9 80 112 A R - 0 0 113 3,-3.4 3,-0.5 -2,-0.5 -2,-0.0 -0.712 44.7 -90.4-116.3 169.4 -30.0 10.9 -12.9 81 113 A P S S+ 0 0 108 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.879 122.3 12.4 -47.5 -47.5 -26.4 12.3 -12.2 82 114 A D S S+ 0 0 118 -43,-0.0 -43,-2.4 -44,-0.0 -42,-0.4 0.252 129.8 25.0-117.8 11.6 -25.8 10.2 -9.1 83 115 A S E -C 38 0A 19 -3,-0.5 -3,-3.4 -45,-0.3 2,-0.4 -0.977 62.8-119.0-161.4 168.7 -28.7 7.7 -9.2 84 116 A F E -CD 37 79A 0 -47,-2.2 -47,-2.4 -2,-0.3 2,-0.5 -0.939 23.7-149.8-115.4 146.8 -31.3 5.7 -11.0 85 117 A V E -CD 36 78A 7 -7,-3.0 -7,-2.4 -2,-0.4 2,-0.5 -0.973 8.3-160.1-120.0 127.0 -35.0 6.1 -10.4 86 118 A L E -CD 35 77A 1 -51,-3.4 -51,-2.7 -2,-0.5 2,-0.7 -0.903 7.0-153.5-109.9 130.6 -37.4 3.1 -10.8 87 119 A I E +CD 34 76A 2 -11,-2.8 -12,-2.8 -2,-0.5 -11,-1.2 -0.900 26.7 177.2-101.4 114.7 -41.2 3.5 -11.3 88 120 A L E -CD 33 74A 21 -55,-3.1 -55,-2.6 -2,-0.7 -14,-0.2 -0.768 34.2 -92.1-118.2 159.0 -42.9 0.4 -10.1 89 121 A E E -C 32 0A 40 -16,-1.7 -57,-0.2 -2,-0.3 -1,-0.1 -0.346 34.8-156.4 -61.0 147.2 -46.5 -0.9 -9.7 90 122 A R - 0 0 45 -59,-1.2 2,-0.0 -58,-0.1 -1,-0.0 -0.886 2.8-152.6-131.6 106.5 -48.1 -0.2 -6.3 91 123 A P - 0 0 14 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.369 22.3-125.0 -66.1 152.9 -51.0 -2.4 -5.2 92 124 A E S S+ 0 0 123 1,-0.4 2,-0.1 -2,-0.0 52,-0.1 -0.888 90.2 25.3-157.2 121.4 -53.5 -0.8 -2.8 93 125 A P S S+ 0 0 39 0, 0.0 52,-1.3 0, 0.0 53,-0.5 0.525 93.2 161.7 -81.1 158.4 -54.3 -1.9 -0.3 94 126 A V E +G 144 0C 54 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.954 23.2 178.6-141.8 152.6 -51.1 -3.9 0.3 95 127 A Q E -G 143 0C 35 48,-1.1 48,-2.4 -2,-0.3 2,-0.1 -0.940 31.4-118.6-150.8 138.7 -49.1 -5.6 3.0 96 128 A D E > -G 142 0C 33 -2,-0.3 4,-1.9 46,-0.2 46,-0.2 -0.357 27.5-114.3 -74.0 162.2 -45.9 -7.5 2.7 97 129 A L H > S+ 0 0 1 44,-2.4 4,-2.7 41,-1.0 5,-0.3 0.833 112.7 58.9 -67.4 -33.0 -45.8 -11.2 3.7 98 130 A F H > S+ 0 0 84 40,-0.8 4,-2.2 43,-0.3 -1,-0.2 0.948 110.4 40.7 -60.5 -50.6 -43.4 -10.5 6.6 99 131 A D H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.863 113.7 55.7 -65.2 -36.8 -45.8 -8.1 8.4 100 132 A F H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.950 110.8 42.5 -61.6 -51.6 -48.7 -10.3 7.5 101 133 A I H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.892 112.4 56.1 -61.4 -40.0 -47.2 -13.4 9.2 102 134 A T H < S+ 0 0 94 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.910 112.7 40.7 -58.6 -44.6 -46.1 -11.2 12.1 103 135 A E H < S+ 0 0 153 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 126.1 33.4 -68.6 -41.5 -49.7 -9.9 12.7 104 136 A R H < S- 0 0 116 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.633 96.1-142.5 -95.9 -16.9 -51.4 -13.3 12.2 105 137 A G < + 0 0 32 -4,-2.7 -1,-0.3 -5,-0.2 101,-0.2 -0.444 65.4 0.8 77.3-163.4 -48.8 -15.7 13.5 106 138 A A S S- 0 0 35 99,-0.3 2,-0.2 -2,-0.1 98,-0.2 -0.254 85.5-118.4 -56.4 140.1 -48.4 -19.0 11.7 107 139 A L - 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0 0 31 -38,-0.2 3,-1.3 1,-0.1 4,-0.2 -0.633 45.2-147.1 -82.0 126.1 -30.3 -13.0 2.9 173 205 A R G > S+ 0 0 105 -2,-0.4 3,-2.5 1,-0.3 -1,-0.1 0.898 94.8 57.4 -61.4 -45.6 -28.0 -15.4 4.7 174 206 A V G 3 S+ 0 0 36 1,-0.3 36,-0.3 37,-0.1 -1,-0.3 0.604 110.5 47.3 -65.1 -9.6 -30.6 -17.2 6.8 175 207 A Y G < S+ 0 0 15 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.329 91.9 107.7-105.4 1.6 -32.3 -18.2 3.5 176 208 A S S < S- 0 0 0 -3,-2.5 16,-0.0 -4,-0.2 -3,-0.0 -0.568 72.9-111.2 -85.9 146.7 -29.0 -19.3 1.9 177 209 A P >> - 0 0 4 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.302 23.3-111.6 -78.7 159.4 -28.3 -23.0 1.2 178 210 A P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.778 115.1 62.7 -60.1 -30.6 -25.7 -25.1 3.0 179 211 A E H 3> S+ 0 0 16 2,-0.2 4,-2.1 62,-0.2 6,-1.2 0.812 105.5 46.9 -66.7 -29.0 -23.6 -25.4 -0.1 180 212 A W H <> S+ 0 0 25 -3,-1.1 4,-1.8 4,-0.2 -1,-0.2 0.926 112.6 48.7 -72.5 -47.2 -23.2 -21.6 -0.1 181 213 A I H < S+ 0 0 19 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.893 123.3 33.1 -57.1 -42.2 -22.3 -21.6 3.6 182 214 A R H < S+ 0 0 138 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.883 137.3 12.7 -84.9 -42.5 -19.7 -24.4 3.2 183 215 A Y H < S- 0 0 143 -4,-2.1 -3,-0.2 2,-0.3 -2,-0.2 0.430 86.0-122.2-121.8 -1.9 -18.3 -23.9 -0.3 184 216 A H S < S+ 0 0 109 -4,-1.8 2,-0.3 -5,-0.3 -4,-0.2 0.854 81.3 107.7 54.4 36.2 -19.3 -20.5 -1.6 185 217 A R + 0 0 131 -6,-1.2 2,-0.3 -18,-0.0 -2,-0.3 -0.998 35.7 149.4-142.7 141.7 -20.9 -22.3 -4.5 186 218 A Y B -J 166 0E 6 -20,-1.5 -20,-3.0 -2,-0.3 2,-0.3 -0.975 36.5-121.5-160.7 160.9 -24.4 -23.0 -5.5 187 219 A H > - 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0 0 35 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.416 29.6-131.0 -77.4 154.0 -37.6 -19.3 10.1 209 241 A P S S+ 0 0 18 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.842 85.2 40.9 -76.3 -34.0 -36.1 -22.7 10.9 210 242 A F + 0 0 5 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.942 44.4 168.4-121.8 138.6 -32.4 -21.8 11.1 211 243 A E + 0 0 134 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.719 67.8 50.0-108.4 -35.5 -30.6 -18.8 12.7 212 244 A H S >> S- 0 0 85 1,-0.1 4,-1.8 -38,-0.1 3,-0.7 -0.718 81.3-115.9-111.5 157.7 -27.0 -19.8 12.7 213 245 A D H 3> S+ 0 0 56 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.891 115.2 53.9 -52.3 -46.5 -24.6 -21.2 10.0 214 246 A E H 3> S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.795 106.0 53.2 -64.2 -29.0 -24.2 -24.5 11.9 215 247 A E H <> S+ 0 0 78 -3,-0.7 4,-2.3 2,-0.2 5,-0.4 0.902 109.9 47.5 -70.7 -41.8 -27.9 -25.0 12.0 216 248 A I H < S+ 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.930 114.2 47.5 -60.7 -46.8 -28.2 -24.5 8.2 217 249 A I H < S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.857 111.5 49.9 -64.1 -38.5 -25.2 -26.9 7.7 218 250 A R H < S- 0 0 181 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.887 89.5-160.4 -69.6 -40.1 -26.8 -29.5 10.0 219 251 A G < + 0 0 17 -4,-2.3 2,-0.5 1,-0.2 -3,-0.1 0.612 31.4 150.1 72.7 13.9 -30.1 -29.3 8.2 220 252 A Q - 0 0 124 -5,-0.4 2,-0.7 -11,-0.0 -1,-0.2 -0.704 35.6-148.0 -80.9 122.9 -32.2 -30.8 11.0 221 253 A V - 0 0 8 -2,-0.5 2,-0.5 11,-0.0 15,-0.1 -0.826 14.1-173.2 -98.2 116.2 -35.7 -29.3 10.8 222 254 A F - 0 0 157 -2,-0.7 2,-0.5 -13,-0.2 -2,-0.0 -0.925 17.3-140.3-104.9 130.2 -37.6 -28.9 14.1 223 255 A F - 0 0 23 -2,-0.5 4,-0.1 1,-0.1 -18,-0.0 -0.791 17.1-175.6 -94.9 127.1 -41.2 -27.8 13.9 224 256 A R S S+ 0 0 109 -2,-0.5 2,-0.3 -17,-0.1 -1,-0.1 0.453 71.9 44.7-100.4 -4.2 -42.4 -25.3 16.6 225 257 A Q S S- 0 0 100 2,-0.0 2,-0.4 0, 0.0 -20,-0.0 -0.897 101.2 -84.7-130.5 163.7 -46.0 -25.4 15.4 226 258 A R + 0 0 214 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.580 54.7 171.4 -68.7 121.7 -48.5 -28.1 14.5 227 259 A V - 0 0 2 -2,-0.4 -4,-0.1 -4,-0.1 -22,-0.0 -1.000 34.9-106.0-137.1 134.8 -47.9 -28.9 10.8 228 260 A S > - 0 0 27 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.102 29.2-115.4 -57.0 156.2 -49.4 -31.8 8.7 229 261 A S H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.851 115.8 54.5 -62.3 -35.2 -47.1 -34.7 7.8 230 262 A E H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.943 110.3 43.7 -63.0 -51.5 -47.5 -33.8 4.1 231 263 A C H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.906 112.2 53.4 -63.0 -43.5 -46.4 -30.2 4.6 232 264 A Q H X S+ 0 0 51 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.913 109.3 50.3 -55.4 -44.6 -43.5 -31.3 6.9 233 265 A H H X S+ 0 0 105 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 110.2 47.9 -61.5 -48.6 -42.4 -33.7 4.1 234 266 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.931 113.3 48.9 -58.3 -46.0 -42.4 -31.1 1.4 235 267 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.939 112.3 47.4 -58.7 -49.0 -40.5 -28.7 3.6 236 268 A R H < S+ 0 0 102 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.826 111.4 51.8 -61.5 -35.5 -37.9 -31.4 4.5 237 269 A W H >< S+ 0 0 74 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.940 109.9 48.0 -67.1 -48.5 -37.6 -32.3 0.8 238 270 A C H 3< S+ 0 0 0 -4,-2.7 -41,-0.3 1,-0.3 -2,-0.2 0.803 112.4 51.4 -60.2 -31.1 -37.0 -28.6 -0.1 239 271 A L T 3< S+ 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.003 76.7 145.6-100.4 27.9 -34.4 -28.4 2.6 240 272 A A < - 0 0 18 -3,-1.5 6,-0.1 1,-0.1 5,-0.1 -0.434 51.8-133.5 -61.9 137.5 -32.4 -31.5 1.6 241 273 A L S S+ 0 0 77 -23,-0.1 -62,-0.2 -2,-0.1 -1,-0.1 0.928 92.1 66.1 -62.1 -47.9 -28.7 -31.0 2.4 242 274 A R S > S- 0 0 155 1,-0.1 3,-2.0 -64,-0.1 4,-0.4 -0.671 81.2-142.0 -77.4 123.6 -27.6 -32.2 -1.0 243 275 A P G > S+ 0 0 45 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.834 101.7 57.2 -52.9 -37.4 -28.8 -29.8 -3.8 244 276 A S G 3 S+ 0 0 93 1,-0.3 -3,-0.1 -3,-0.0 -2,-0.0 0.622 98.6 61.5 -72.7 -12.3 -29.5 -32.8 -6.1 245 277 A D G < S+ 0 0 84 -3,-2.0 -1,-0.3 -5,-0.1 -4,-0.1 0.533 84.9 98.9 -88.6 -8.0 -31.8 -34.3 -3.4 246 278 A R S < S- 0 0 15 -3,-1.3 -8,-0.2 -4,-0.4 2,-0.1 -0.465 80.9-104.5 -78.6 151.4 -34.1 -31.2 -3.6 247 279 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.372 27.4-120.3 -72.2 153.6 -37.4 -31.4 -5.7 248 280 A T > - 0 0 74 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.339 35.8-101.5 -75.4 171.8 -37.7 -29.6 -9.0 249 281 A F H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 126.4 53.4 -64.3 -39.5 -40.5 -27.0 -9.3 250 282 A E H > S+ 0 0 141 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.917 108.9 49.6 -57.2 -45.0 -42.7 -29.6 -11.1 251 283 A E H 4 S+ 0 0 83 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.873 109.8 50.8 -64.9 -38.8 -42.1 -32.0 -8.2 252 284 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 6,-0.2 0.953 113.0 44.7 -61.9 -48.7 -43.0 -29.4 -5.7 253 285 A Q H 3< S+ 0 0 14 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.722 112.6 52.0 -72.8 -20.1 -46.3 -28.5 -7.5 254 286 A N T 3< S+ 0 0 108 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.447 84.4 119.3 -89.4 -2.2 -47.1 -32.2 -8.0 255 287 A H S X S- 0 0 9 -3,-1.2 3,-2.1 -4,-0.4 4,-0.3 -0.392 75.8-120.5 -65.9 140.0 -46.6 -32.8 -4.2 256 288 A P G > S+ 0 0 81 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.790 112.8 57.7 -52.4 -33.3 -49.7 -34.1 -2.4 257 289 A W G 3 S+ 0 0 5 1,-0.2 -26,-0.1 -27,-0.2 -4,-0.1 0.724 101.9 58.6 -69.2 -19.4 -49.7 -31.1 -0.0 258 290 A M G < S+ 0 0 1 -3,-2.1 3,-0.5 -6,-0.2 -1,-0.2 0.412 81.9 111.9 -91.6 -0.0 -50.0 -28.8 -3.1 259 291 A Q S < S+ 0 0 82 -3,-1.1 -5,-0.1 -4,-0.3 -146,-0.0 -0.410 71.4 18.7 -79.1 154.8 -53.1 -30.2 -4.5 260 292 A D S S- 0 0 157 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 0.863 79.6-171.9 58.3 43.4 -56.5 -28.4 -4.7 261 293 A V - 0 0 40 -3,-0.5 -1,-0.1 1,-0.1 2,-0.1 -0.300 23.5-112.7 -63.0 146.1 -55.1 -24.9 -4.2 262 294 A L - 0 0 27 -152,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.483 30.6-109.8 -72.6 151.2 -57.5 -22.0 -3.8 263 295 A L > - 0 0 109 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.457 33.4-108.8 -71.8 156.4 -57.8 -19.4 -6.5 264 296 A P H > S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.919 119.3 48.6 -54.8 -46.5 -56.4 -16.0 -5.4 265 297 A Q H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.875 110.9 49.8 -64.3 -39.7 -59.9 -14.4 -5.2 266 298 A E H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.918 109.0 54.2 -60.2 -44.1 -61.2 -17.3 -3.1 267 299 A T H X>S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.7 0.892 108.9 48.0 -56.8 -43.7 -58.2 -16.9 -0.9 268 300 A A H X>S+ 0 0 0 -4,-2.1 5,-3.5 -121,-0.3 4,-1.6 0.938 112.6 48.0 -62.8 -48.5 -59.0 -13.2 -0.4 269 301 A E H <5S+ 0 0 117 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.900 121.1 35.4 -60.8 -43.8 -62.7 -13.9 0.4 270 302 A I H <5S+ 0 0 98 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.908 136.3 14.7 -77.5 -44.1 -62.0 -16.7 2.9 271 303 A H H <5S+ 0 0 16 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.651 129.1 36.4-112.2 -23.1 -58.8 -15.5 4.6 272 304 A L T << 0 0 29 -4,-1.6 -3,-0.2 -5,-0.7 -4,-0.1 0.838 360.0 360.0-104.5 -46.0 -58.2 -11.8 3.8 273 305 A H < 0 0 129 -5,-3.5 -127,-0.0 -6,-0.1 -128,-0.0 -0.447 360.0 360.0 -67.1 360.0 -61.6 -9.9 3.6