==== 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 4K18 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,H.WALLWEBER,M.STEFFEK . 277 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 62.5 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 . 51 18.4 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 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 1 2 1 1 2 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 32 A E 0 0 164 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -42.0 -33.1 -27.6 -15.4 2 33 A P >> - 0 0 70 0, 0.0 3,-1.4 0, 0.0 4,-1.1 -0.429 360.0-111.8 -62.5 150.4 -32.7 -25.4 -12.3 3 34 A L H 3> S+ 0 0 7 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.856 114.7 58.4 -45.9 -43.3 -31.1 -27.2 -9.4 4 35 A E H 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.700 105.0 48.2 -70.5 -21.6 -34.3 -27.1 -7.4 5 36 A S H <4 S+ 0 0 70 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.716 113.2 45.6 -91.7 -23.5 -36.4 -28.9 -10.0 6 37 A Q H < S+ 0 0 59 -4,-1.1 21,-2.8 -3,-0.5 22,-0.5 0.742 118.0 40.3 -88.2 -25.0 -34.0 -31.8 -10.6 7 38 A Y E < -A 26 0A 7 -4,-1.7 2,-0.6 19,-0.3 19,-0.2 -0.957 66.0-140.7-131.6 142.3 -33.3 -32.5 -6.9 8 39 A Q E -A 25 0A 130 17,-2.7 17,-1.8 -2,-0.4 2,-0.4 -0.904 30.4-141.4 -95.4 123.0 -35.2 -32.5 -3.6 9 40 A V E +A 24 0A 59 -2,-0.6 15,-0.2 15,-0.2 14,-0.0 -0.699 23.2 178.7 -92.0 135.9 -33.0 -31.0 -0.9 10 41 A G E - 0 0 30 13,-3.3 3,-0.1 -2,-0.4 -1,-0.1 -0.249 36.7 -43.8-114.0-156.7 -32.9 -32.4 2.6 11 42 A P E - 0 0 101 0, 0.0 12,-3.1 0, 0.0 -1,-0.3 -0.159 69.0 -80.3 -70.2 165.0 -31.1 -31.7 5.9 12 43 A L E -A 22 0A 98 10,-0.3 10,-0.3 1,-0.1 3,-0.1 -0.334 36.2-177.0 -58.0 141.5 -27.4 -30.9 6.3 13 44 A L E - 0 0 101 8,-3.5 2,-0.3 1,-0.4 9,-0.2 0.733 61.4 -43.2-101.2 -47.6 -25.0 -33.9 6.3 14 45 A G E +A 21 0A 33 7,-1.6 7,-2.9 2,-0.0 -1,-0.4 -0.952 55.5 173.8-168.5 176.2 -21.7 -32.1 7.1 15 46 A S E +A 20 0A 72 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.938 6.7 155.6-172.3-162.1 -19.6 -29.0 6.4 16 47 A G S S- 0 0 46 3,-0.8 3,-0.2 -2,-0.3 -2,-0.0 -0.988 70.9 -39.8 156.9-156.3 -16.5 -27.0 7.2 17 48 A G S S+ 0 0 88 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.362 133.4 57.7 -81.4 2.7 -14.1 -24.5 5.6 18 49 A F S S- 0 0 82 1,-0.4 2,-0.3 25,-0.0 -1,-0.2 0.694 120.3 -70.9 -98.9 -29.4 -14.4 -26.7 2.5 19 50 A G - 0 0 10 -3,-0.2 -3,-0.8 19,-0.1 2,-0.4 -0.943 42.2 -85.9 159.6-178.9 -18.1 -26.4 2.0 20 51 A S E -AB 15 37A 43 17,-1.5 17,-2.6 -2,-0.3 2,-0.5 -0.987 35.4-160.2-124.5 129.2 -21.6 -27.4 3.2 21 52 A V E -AB 14 36A 31 -7,-2.9 -8,-3.5 -2,-0.4 -7,-1.6 -0.931 6.1-169.9-120.3 129.9 -23.1 -30.7 2.1 22 53 A Y E -AB 12 35A 78 13,-2.7 13,-2.9 -2,-0.5 -10,-0.3 -0.813 28.7-107.8-115.0 151.6 -26.8 -31.6 2.2 23 54 A S E + B 0 34A 22 -12,-3.1 -13,-3.3 -2,-0.3 2,-0.3 -0.501 48.7 171.7 -69.0 147.9 -28.7 -34.8 1.7 24 55 A G E -AB 9 33A 1 9,-2.0 9,-2.5 -15,-0.2 2,-0.4 -0.971 29.0-143.2-153.3 167.2 -30.6 -34.9 -1.6 25 56 A I E -AB 8 32A 47 -17,-1.8 -17,-2.7 -2,-0.3 2,-0.6 -0.996 23.4-127.1-135.8 130.5 -32.6 -37.0 -4.0 26 57 A R E >>> -AB 7 31A 62 5,-3.1 4,-2.1 -2,-0.4 3,-0.7 -0.699 21.5-146.6 -76.1 118.4 -32.6 -36.9 -7.8 27 58 A V T 345S+ 0 0 80 -21,-2.8 -1,-0.2 -2,-0.6 -20,-0.1 0.813 87.9 62.5 -58.4 -35.7 -36.2 -36.4 -8.7 28 59 A S T 345S+ 0 0 100 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.876 129.0 1.9 -62.0 -42.8 -36.1 -38.4 -12.0 29 60 A D T <45S- 0 0 77 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.291 95.8-112.4-130.0 6.4 -35.1 -41.8 -10.5 30 61 A N T <5 + 0 0 117 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.0 0.671 54.8 169.5 64.3 20.2 -35.0 -41.1 -6.7 31 62 A L E < -B 26 0A 58 -5,-0.6 -5,-3.1 -6,-0.1 -1,-0.2 -0.438 37.4-119.0 -63.0 126.9 -31.2 -41.6 -6.7 32 63 A P E +B 25 0A 43 0, 0.0 59,-1.3 0, 0.0 2,-0.3 -0.513 43.1 174.5 -66.6 133.2 -29.7 -40.6 -3.4 33 64 A V E -BC 24 90A 0 -9,-2.5 -9,-2.0 57,-0.2 2,-0.4 -0.888 31.0-130.0-135.0 168.7 -27.2 -37.7 -3.8 34 65 A A E -BC 23 89A 10 55,-3.1 55,-3.2 -2,-0.3 2,-0.6 -0.976 20.2-151.9-118.9 135.7 -25.1 -35.4 -1.7 35 66 A I E -BC 22 88A 0 -13,-2.9 -13,-2.7 -2,-0.4 2,-0.5 -0.917 10.9-169.5-117.7 109.3 -25.3 -31.7 -2.5 36 67 A K E -BC 21 87A 12 51,-2.3 51,-3.3 -2,-0.6 2,-0.5 -0.854 4.9-158.6-103.6 128.1 -22.2 -29.6 -1.8 37 68 A H E -BC 20 86A 38 -17,-2.6 -17,-1.5 -2,-0.5 2,-0.4 -0.889 5.9-168.6-106.9 130.8 -22.3 -25.8 -1.9 38 69 A V E - C 0 85A 14 47,-2.7 47,-2.2 -2,-0.5 2,-0.4 -0.984 19.4-131.1-119.7 127.1 -19.2 -23.8 -2.4 39 70 A E E >> - C 0 84A 77 -2,-0.4 3,-1.4 45,-0.2 4,-0.7 -0.596 10.0-141.6 -76.5 127.2 -19.0 -20.0 -2.0 40 71 A K G >4 S+ 0 0 46 43,-2.2 3,-0.7 -2,-0.4 -1,-0.1 0.833 102.9 56.7 -55.5 -33.6 -17.3 -18.2 -4.8 41 72 A D G 34 S+ 0 0 117 42,-0.5 -1,-0.3 1,-0.2 43,-0.1 0.726 105.3 50.5 -72.1 -24.3 -15.7 -15.9 -2.3 42 73 A R G <4 S+ 0 0 172 -3,-1.4 2,-0.4 -24,-0.0 -1,-0.2 0.521 87.5 103.7 -92.7 -4.1 -14.1 -18.7 -0.5 43 74 A I << + 0 0 26 -3,-0.7 3,-0.1 -4,-0.7 -25,-0.0 -0.659 33.9 165.2 -80.3 125.6 -12.6 -20.3 -3.6 44 75 A S + 0 0 93 -2,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.705 62.9 63.0-106.5 -32.9 -8.9 -19.8 -4.0 45 76 A D - 0 0 69 112,-0.2 12,-2.7 115,-0.0 13,-0.4 -0.860 64.6-177.5-103.9 114.3 -8.1 -22.4 -6.7 46 77 A W E -E 56 0B 65 -2,-0.7 2,-0.2 10,-0.3 8,-0.1 -0.811 1.4-175.7-109.2 150.6 -9.8 -21.9 -10.0 47 78 A G E -E 55 0B 7 8,-3.2 8,-1.8 -2,-0.3 2,-0.4 -0.724 22.7-114.5-132.0-178.3 -9.6 -24.2 -13.1 48 79 A E E -E 54 0B 117 -2,-0.2 6,-0.2 6,-0.2 -2,-0.0 -0.986 19.3-137.9-126.2 123.7 -10.6 -24.4 -16.7 49 80 A L E >> -E 53 0B 10 4,-2.0 3,-3.0 -2,-0.4 4,-0.5 -0.426 39.2-101.7 -67.3 153.4 -13.1 -27.0 -18.1 50 81 A P T 34 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 10,-0.0 0.689 125.8 56.3 -53.5 -20.2 -11.9 -28.4 -21.5 51 82 A N T 34 S- 0 0 119 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.183 127.9 -98.7 -95.6 15.1 -14.5 -26.1 -23.1 52 83 A G T <4 + 0 0 55 -3,-3.0 2,-0.5 1,-0.2 -4,-0.1 0.947 68.8 154.2 71.1 52.4 -12.9 -23.1 -21.5 53 84 A T E < -E 49 0B 38 -4,-0.5 -4,-2.0 2,-0.0 2,-0.6 -0.952 44.9-127.2-115.3 127.4 -15.1 -22.5 -18.5 54 85 A R E +E 48 0B 147 -2,-0.5 -6,-0.2 -6,-0.2 -8,-0.0 -0.599 50.1 147.3 -71.3 112.3 -14.0 -20.8 -15.3 55 86 A V E -E 47 0B 0 -8,-1.8 -8,-3.2 -2,-0.6 2,-0.1 -0.913 55.3 -75.0-136.6 169.2 -14.9 -23.2 -12.5 56 87 A P E >> -E 46 0B 4 0, 0.0 4,-1.4 0, 0.0 3,-1.4 -0.447 40.8-122.4 -63.8 142.2 -13.5 -24.2 -9.1 57 88 A M H 3> S+ 0 0 23 -12,-2.7 4,-2.8 1,-0.3 5,-0.2 0.828 112.5 67.2 -51.1 -33.0 -10.4 -26.5 -9.4 58 89 A E H 3> S+ 0 0 18 -13,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.871 99.8 47.8 -56.7 -39.8 -12.4 -28.9 -7.3 59 90 A V H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.905 109.9 52.4 -69.3 -42.9 -14.9 -29.4 -10.2 60 91 A V H X S+ 0 0 14 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.950 113.7 43.4 -54.2 -52.7 -12.1 -29.9 -12.7 61 92 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.921 112.4 52.4 -62.9 -45.6 -10.5 -32.6 -10.5 62 93 A L H X S+ 0 0 5 -4,-2.5 4,-1.0 -5,-0.2 13,-0.4 0.922 108.1 51.6 -57.9 -45.7 -13.8 -34.3 -9.8 63 94 A K H >< S+ 0 0 91 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.891 107.5 53.2 -57.9 -41.8 -14.7 -34.5 -13.5 64 95 A K H 3< S+ 0 0 95 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.841 116.3 37.2 -65.3 -33.6 -11.4 -36.1 -14.3 65 96 A V H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.541 94.5 92.3 -95.5 -0.2 -11.8 -38.9 -11.7 66 97 A S << + 0 0 15 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.195 47.7 114.6 -93.6 15.4 -15.5 -39.3 -12.2 67 98 A S S S- 0 0 72 -3,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.349 92.3 -73.3 -70.1 171.3 -15.7 -42.1 -14.8 68 99 A G S S+ 0 0 50 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.442 88.9 121.8 -61.9 -14.0 -17.2 -45.2 -13.4 69 100 A F > - 0 0 78 1,-0.2 3,-0.8 -4,-0.1 0, 0.0 -0.285 56.0-145.3 -53.6 129.5 -14.5 -46.6 -11.1 70 101 A S T 3 S+ 0 0 51 1,-0.2 -1,-0.2 82,-0.0 -2,-0.1 0.232 76.9 91.7 -91.9 13.6 -16.2 -46.7 -7.7 71 102 A G T 3 S+ 0 0 7 81,-0.1 82,-2.2 51,-0.1 2,-0.3 0.466 88.2 51.7 -87.6 -2.5 -13.3 -45.9 -5.4 72 103 A V B < S-f 153 0C 0 -3,-0.8 2,-0.5 80,-0.3 82,-0.2 -0.975 93.3-110.3-126.1 147.1 -14.1 -42.2 -5.6 73 104 A I - 0 0 6 80,-2.4 2,-0.2 -2,-0.3 -8,-0.1 -0.665 47.0-132.0 -69.8 124.7 -17.5 -40.4 -4.9 74 105 A R - 0 0 64 -2,-0.5 16,-1.8 -6,-0.1 2,-0.7 -0.568 2.3-124.7 -88.7 146.0 -18.4 -39.3 -8.4 75 106 A L E -D 89 0A 15 -13,-0.4 14,-0.3 -2,-0.2 3,-0.1 -0.786 25.9-177.4 -82.4 113.1 -19.6 -35.8 -9.5 76 107 A L E - 0 0 52 12,-2.9 2,-0.3 -2,-0.7 13,-0.2 0.865 63.5 -25.8 -81.3 -36.4 -23.0 -36.4 -11.2 77 108 A D E -D 88 0A 58 11,-1.3 11,-3.2 2,-0.0 -1,-0.3 -0.969 56.8-147.3-165.7 166.8 -23.6 -32.8 -12.2 78 109 A W E -D 87 0A 55 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.982 6.0-158.6-145.4 158.6 -22.8 -29.2 -11.2 79 110 A F E -D 86 0A 27 7,-2.3 7,-2.8 -2,-0.3 2,-0.5 -0.986 12.4-137.7-137.2 145.5 -24.5 -25.8 -11.2 80 111 A E E -D 85 0A 105 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.904 22.1-177.2-102.6 132.8 -23.3 -22.2 -11.2 81 112 A R - 0 0 79 3,-3.3 3,-0.5 -2,-0.5 -2,-0.0 -0.745 44.9 -93.4-116.8 167.3 -25.2 -19.7 -9.0 82 113 A P S S+ 0 0 108 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.877 121.8 10.9 -49.9 -44.0 -24.6 -16.0 -8.7 83 114 A D S S+ 0 0 108 -43,-0.0 -43,-2.2 -44,-0.0 -42,-0.5 0.200 129.5 33.3-122.1 14.9 -22.3 -16.3 -5.6 84 115 A S E -C 39 0A 20 -3,-0.5 -3,-3.3 -45,-0.3 2,-0.4 -0.972 62.3-125.4-156.9 169.4 -21.7 -20.1 -5.5 85 116 A F E -CD 38 80A 0 -47,-2.2 -47,-2.7 -2,-0.3 2,-0.5 -0.956 22.0-150.3-118.4 145.8 -21.2 -23.4 -7.2 86 117 A V E -CD 37 79A 0 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.5 -0.971 7.7-159.2-120.5 124.4 -23.4 -26.4 -6.4 87 118 A L E -CD 36 78A 1 -51,-3.3 -51,-2.3 -2,-0.5 2,-0.7 -0.877 6.6-151.8-106.6 130.0 -22.0 -30.0 -6.8 88 119 A I E +CD 35 77A 0 -11,-3.2 -12,-2.9 -2,-0.5 -11,-1.3 -0.893 25.6 176.8-100.0 115.3 -24.2 -33.0 -7.1 89 120 A L E -CD 34 75A 21 -55,-3.2 -55,-3.1 -2,-0.7 -14,-0.2 -0.826 33.7 -99.3-118.2 153.1 -22.3 -36.1 -5.8 90 121 A E E -C 33 0A 48 -16,-1.8 -57,-0.2 -2,-0.3 -1,-0.1 -0.328 32.1-154.4 -67.9 153.8 -23.4 -39.7 -5.3 91 122 A R - 0 0 41 -59,-1.3 2,-0.1 -58,-0.1 -1,-0.0 -0.875 2.3-151.6-135.5 103.1 -24.5 -40.7 -1.9 92 123 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 52,-0.1 -0.385 24.5-120.0 -66.6 151.4 -24.2 -44.4 -0.8 93 124 A E S S+ 0 0 128 1,-0.3 2,-0.1 -2,-0.1 52,-0.1 -0.937 94.5 25.6-147.0 120.9 -26.8 -45.6 1.8 94 125 A P S S+ 0 0 42 0, 0.0 52,-1.0 0, 0.0 53,-0.5 0.536 91.8 161.9 -78.5 158.7 -26.0 -46.6 4.4 95 126 A V E +G 145 0C 53 50,-0.2 2,-0.3 -2,-0.1 50,-0.2 -0.983 18.5 178.6-144.1 150.7 -22.7 -44.8 4.7 96 127 A Q E -G 144 0C 32 48,-1.3 48,-2.6 -2,-0.3 2,-0.1 -0.974 30.2-116.7-150.6 139.1 -20.2 -43.8 7.4 97 128 A D E > -G 143 0C 42 -2,-0.3 4,-2.1 46,-0.2 46,-0.2 -0.434 27.0-118.9 -75.7 155.3 -16.8 -42.0 7.2 98 129 A L H > S+ 0 0 0 44,-2.7 4,-2.9 41,-0.8 5,-0.3 0.837 111.5 61.0 -63.2 -33.4 -13.7 -43.8 8.2 99 130 A F H > S+ 0 0 85 40,-0.9 4,-2.1 43,-0.3 -1,-0.2 0.937 109.6 40.4 -59.1 -49.2 -13.0 -41.3 11.0 100 131 A D H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 113.3 56.6 -65.0 -37.9 -16.3 -42.1 12.7 101 132 A F H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.928 110.3 42.4 -61.8 -48.1 -15.8 -45.8 12.0 102 133 A I H X S+ 0 0 5 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.913 112.5 54.6 -63.5 -45.3 -12.4 -46.0 13.7 103 134 A T H < S+ 0 0 98 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.891 112.6 44.1 -55.1 -42.6 -13.7 -43.9 16.6 104 135 A E H < S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 126.3 29.3 -67.2 -45.1 -16.6 -46.3 17.1 105 136 A R H < S- 0 0 92 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.586 95.7-142.3 -97.8 -13.8 -14.5 -49.5 16.8 106 137 A G < + 0 0 32 -4,-3.1 -1,-0.3 -5,-0.2 101,-0.2 -0.411 67.1 3.3 72.6-162.5 -11.1 -48.3 18.1 107 138 A A S S- 0 0 32 99,-0.3 2,-0.2 98,-0.1 98,-0.2 -0.219 85.2-118.7 -54.0 137.7 -8.1 -49.8 16.3 108 139 A L - 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0 0 34 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.403 29.4-131.6 -76.0 154.6 -2.4 -40.5 14.4 210 241 A P S S+ 0 0 17 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.809 83.7 46.2 -78.4 -29.8 1.4 -40.9 15.2 211 242 A F + 0 0 5 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.928 42.2 164.3-122.4 139.7 2.4 -37.2 15.2 212 243 A E + 0 0 135 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.706 67.9 48.8-112.1 -42.2 0.8 -34.1 16.8 213 244 A H S >> S- 0 0 85 1,-0.1 4,-1.8 -38,-0.0 3,-0.7 -0.661 80.7-116.9-106.6 158.0 3.6 -31.5 16.7 214 245 A D H 3> S+ 0 0 55 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.870 114.4 57.2 -54.4 -42.1 6.0 -30.3 14.0 215 246 A E H 3> S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.818 105.4 51.5 -64.5 -30.2 9.0 -31.6 15.9 216 247 A E H <> S+ 0 0 76 -3,-0.7 4,-2.6 2,-0.2 5,-0.4 0.925 110.2 47.8 -70.1 -46.3 7.5 -35.1 16.0 217 248 A I H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.8 46.7 -56.6 -47.6 7.0 -35.1 12.2 218 249 A I H < S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.5 50.7 -67.5 -34.6 10.5 -33.8 11.6 219 250 A R H < S- 0 0 181 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.920 88.8-160.1 -69.4 -44.0 12.0 -36.4 14.0 220 251 A G < + 0 0 19 -4,-2.6 2,-0.6 1,-0.3 -3,-0.1 0.649 33.9 146.7 74.2 16.1 10.2 -39.2 12.3 221 252 A Q - 0 0 126 -5,-0.4 2,-0.6 2,-0.0 -1,-0.3 -0.770 36.9-150.5 -83.0 123.8 10.4 -41.7 15.2 222 253 A V - 0 0 9 -2,-0.6 2,-0.5 -3,-0.1 -11,-0.1 -0.866 11.0-168.9-100.8 118.4 7.3 -43.8 15.1 223 254 A F - 0 0 157 -2,-0.6 2,-0.5 -13,-0.2 -2,-0.0 -0.912 15.1-140.7-102.4 132.4 6.1 -45.2 18.5 224 255 A F - 0 0 25 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.833 18.7-178.8 -97.4 124.4 3.4 -47.9 18.4 225 256 A R S S+ 0 0 113 -2,-0.5 2,-0.3 -17,-0.1 -1,-0.1 0.548 70.8 47.5 -96.6 -12.6 0.7 -47.6 21.2 226 257 A Q S S- 0 0 95 0, 0.0 2,-0.4 0, 0.0 -20,-0.0 -0.883 101.4 -86.6-125.4 157.8 -1.2 -50.7 20.1 227 258 A R + 0 0 205 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.523 54.8 170.6 -65.3 121.3 -0.1 -54.2 19.2 228 259 A V - 0 0 2 -2,-0.4 -4,-0.1 -4,-0.1 5,-0.0 -1.000 34.8-105.7-138.4 135.1 0.8 -54.1 15.5 229 260 A S > - 0 0 26 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.098 28.5-115.0 -59.4 157.6 2.5 -56.9 13.5 230 261 A S H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.860 115.9 51.5 -63.9 -37.0 6.2 -56.6 12.4 231 262 A E H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.900 111.6 46.4 -67.8 -40.0 5.3 -56.5 8.7 232 263 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.922 111.8 50.9 -67.8 -43.1 2.7 -53.7 9.3 233 264 A Q H X S+ 0 0 45 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.903 110.2 51.6 -57.4 -41.8 5.1 -51.7 11.4 234 265 A H H X S+ 0 0 105 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 110.0 46.7 -63.1 -47.6 7.7 -52.1 8.7 235 266 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.914 113.6 50.0 -61.3 -44.1 5.4 -50.8 5.9 236 267 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.939 111.4 47.4 -59.2 -48.9 4.3 -47.9 8.1 237 268 A R H < S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 111.1 52.8 -63.2 -33.7 7.9 -46.9 8.9 238 269 A W H >< S+ 0 0 74 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.2 0.928 108.9 47.6 -67.4 -46.5 8.8 -47.2 5.3 239 270 A C H 3< S+ 0 0 0 -4,-2.5 -41,-0.2 1,-0.3 -2,-0.2 0.821 111.3 54.2 -62.1 -32.1 6.0 -44.9 4.2 240 271 A L T 3< S+ 0 0 4 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.022 75.4 144.9 -96.1 29.5 7.1 -42.5 6.9 241 272 A A < - 0 0 18 -3,-1.4 6,-0.1 1,-0.1 -3,-0.1 -0.479 52.8-133.0 -64.1 136.1 10.7 -42.3 5.8 242 273 A L S S+ 0 0 77 -2,-0.2 -62,-0.2 -23,-0.1 -1,-0.1 0.904 92.2 63.6 -60.6 -43.6 12.0 -38.7 6.4 243 274 A R S > S- 0 0 171 1,-0.1 3,-1.7 -64,-0.1 4,-0.4 -0.736 80.7-141.3 -85.6 126.5 13.5 -38.5 2.9 244 275 A P G > S+ 0 0 41 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.853 101.7 57.6 -53.8 -39.4 11.0 -38.6 0.1 245 276 A S G 3 S+ 0 0 103 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.677 100.3 59.0 -68.7 -17.4 13.3 -40.7 -2.1 246 277 A D G < S+ 0 0 89 -3,-1.7 -1,-0.3 -5,-0.1 -4,-0.1 0.508 86.2 99.1 -86.1 -7.1 13.5 -43.4 0.7 247 278 A R S < S- 0 0 14 -3,-1.6 -8,-0.2 -4,-0.4 -9,-0.1 -0.508 81.4-105.0 -80.9 150.6 9.7 -43.9 0.6 248 279 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.348 28.9-118.8 -71.0 154.7 8.2 -46.9 -1.3 249 280 A T > - 0 0 72 1,-0.1 4,-2.3 -55,-0.0 5,-0.2 -0.355 34.8-101.8 -75.4 170.7 6.5 -46.5 -4.6 250 281 A F H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 127.2 54.6 -63.6 -35.6 2.9 -47.5 -4.9 251 282 A E H > S+ 0 0 137 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.928 108.4 48.2 -58.5 -46.8 4.1 -50.7 -6.5 252 283 A E H 4 S+ 0 0 85 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.873 110.9 50.5 -65.9 -39.3 6.4 -51.4 -3.6 253 284 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.954 113.0 45.2 -60.2 -50.1 3.6 -50.7 -1.1 254 285 A Q H 3< S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.695 113.4 50.6 -73.9 -16.3 1.3 -53.1 -2.8 255 286 A N T 3< S+ 0 0 105 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.422 85.4 119.5 -93.7 -1.3 4.0 -55.7 -3.2 256 287 A H S X S- 0 0 7 -3,-1.3 3,-1.4 -4,-0.4 4,-0.3 -0.358 75.7-120.0 -63.7 142.8 4.8 -55.5 0.5 257 288 A P G > S+ 0 0 76 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.831 112.3 58.6 -52.4 -36.9 4.4 -58.7 2.5 258 289 A W G 3 S+ 0 0 6 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.801 101.6 56.8 -65.1 -26.2 1.8 -57.1 4.8 259 290 A M G < S+ 0 0 2 -3,-1.4 3,-0.4 -6,-0.3 -1,-0.2 0.478 81.8 114.6 -85.3 -5.3 -0.4 -56.3 1.8 260 291 A Q S < S+ 0 0 87 -3,-1.2 -5,-0.1 -4,-0.3 -146,-0.0 -0.323 70.6 19.1 -74.1 152.4 -0.7 -59.9 0.4 261 292 A D S S- 0 0 152 1,-0.2 -1,-0.2 -2,-0.0 2,-0.1 0.887 79.1-172.5 60.7 45.5 -4.0 -61.9 0.3 262 293 A V - 0 0 38 -3,-0.4 -1,-0.2 -148,-0.1 2,-0.1 -0.374 23.0-115.2 -66.2 144.3 -6.3 -58.9 0.6 263 294 A L - 0 0 25 -152,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.474 29.0-109.6 -71.6 151.8 -10.0 -59.6 1.0 264 295 A L > - 0 0 111 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.452 33.7-108.1 -72.3 156.2 -12.5 -58.6 -1.7 265 296 A P H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.907 119.5 47.9 -56.5 -44.1 -14.8 -55.7 -0.7 266 297 A Q H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 111.9 50.1 -66.0 -41.0 -17.9 -57.9 -0.4 267 298 A E H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.936 109.2 52.9 -55.2 -49.7 -16.0 -60.4 1.7 268 299 A T H X>S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.7 0.903 110.0 47.1 -53.4 -46.4 -14.8 -57.6 3.9 269 300 A A H X>S+ 0 0 0 -4,-2.2 5,-3.1 -121,-0.3 4,-1.3 0.922 112.0 50.3 -64.3 -44.2 -18.4 -56.4 4.5 270 301 A E H <5S+ 0 0 121 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.912 120.2 35.1 -59.9 -44.7 -19.6 -59.9 5.2 271 302 A I H <5S+ 0 0 93 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.907 136.1 14.6 -77.8 -43.3 -16.9 -60.6 7.8 272 303 A H H <5S+ 0 0 10 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.702 127.1 37.4-111.2 -28.7 -16.4 -57.2 9.4 273 304 A L T <