==== 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 4K0Y . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,H.WALLWEBER,M.STEFFEK . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 64.2 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 18.6 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 . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 3 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 0 115 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.8 -81.2 58.3 -12.8 2 34 A L > + 0 0 11 2,-0.2 4,-1.5 3,-0.1 76,-0.0 0.628 360.0 66.0 -99.9 -21.0 -79.3 55.9 -10.5 3 35 A E T 4 S+ 0 0 114 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.802 103.6 47.6 -68.5 -28.2 -81.9 56.2 -7.7 4 36 A S T 4 S+ 0 0 75 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.786 111.3 49.0 -83.0 -29.7 -84.4 54.4 -10.1 5 37 A Q T 4 S+ 0 0 85 -4,-0.3 21,-2.9 1,-0.1 22,-0.4 0.745 116.1 42.0 -79.9 -25.0 -82.0 51.6 -11.1 6 38 A Y E < -A 25 0A 5 -4,-1.5 2,-0.6 19,-0.2 19,-0.2 -0.972 65.9-145.0-130.1 136.6 -81.0 50.7 -7.5 7 39 A Q E -A 24 0A 124 17,-2.6 17,-1.7 -2,-0.4 2,-0.3 -0.899 31.1-135.4 -94.9 120.4 -82.8 50.4 -4.2 8 40 A V E -A 23 0A 70 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.565 25.8-177.9 -81.0 135.5 -80.5 51.6 -1.5 9 41 A G E - 0 0 30 13,-3.6 -1,-0.1 1,-0.3 3,-0.1 -0.138 40.3 -31.8-108.2-151.4 -80.1 49.6 1.7 10 42 A P E - 0 0 96 0, 0.0 12,-3.0 0, 0.0 2,-0.4 -0.253 66.6 -97.3 -67.4 152.8 -78.2 50.0 4.9 11 43 A L E -A 21 0A 90 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.568 32.0-167.7 -65.5 124.4 -74.8 51.7 5.2 12 44 A L E - 0 0 101 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.801 60.5 -43.1 -86.4 -30.9 -72.1 49.0 5.1 13 45 A G E -A 20 0A 25 7,-1.4 7,-2.8 2,-0.0 -1,-0.3 -0.928 48.7-151.1 175.1 163.2 -69.2 51.3 6.3 14 46 A S E +A 19 0A 79 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.987 35.1 103.7-149.5 156.3 -67.6 54.7 5.8 15 47 A G E > S-A 18 0A 44 3,-2.3 3,-1.1 -2,-0.3 -2,-0.0 -0.937 82.7 -18.2 170.1-148.8 -64.1 56.1 6.1 16 48 A G T 3 S+ 0 0 90 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.795 131.7 54.9 -57.3 -31.6 -61.1 57.3 4.0 17 49 A F T 3 S- 0 0 68 1,-0.2 2,-0.4 20,-0.1 -1,-0.3 0.701 115.8-114.4 -75.3 -23.1 -62.6 55.4 1.1 18 50 A G E < -A 15 0A 16 -3,-1.1 -3,-2.3 19,-0.1 2,-0.4 -0.963 49.7 -38.8 126.9-144.7 -65.9 57.2 1.3 19 51 A S E -AB 14 36A 41 17,-2.1 17,-3.2 -2,-0.4 2,-0.5 -0.993 50.0-165.6-127.2 128.9 -69.4 55.7 2.1 20 52 A V E -AB 13 35A 25 -7,-2.8 -8,-2.9 -2,-0.4 -7,-1.4 -0.950 5.1-169.8-119.1 128.0 -70.6 52.3 0.9 21 53 A Y E -AB 11 34A 76 13,-2.8 13,-3.4 -2,-0.5 -10,-0.2 -0.854 26.0-116.4-113.4 149.3 -74.2 51.1 1.0 22 54 A S E + B 0 33A 18 -12,-3.0 -13,-3.6 -2,-0.3 2,-0.3 -0.546 47.2 171.7 -71.9 145.9 -75.8 47.8 0.5 23 55 A G E -AB 8 32A 0 9,-2.3 9,-2.5 -15,-0.2 2,-0.4 -0.944 31.3-134.4-152.2 172.9 -78.1 47.9 -2.5 24 56 A I E -AB 7 31A 52 -17,-1.7 -17,-2.6 -2,-0.3 2,-0.6 -1.000 23.5-127.3-133.7 129.9 -80.2 45.9 -4.9 25 57 A R E >>> -AB 6 30A 63 5,-3.3 4,-1.9 -2,-0.4 5,-0.6 -0.715 23.1-146.5 -75.7 121.1 -80.3 46.3 -8.7 26 58 A V T 345S+ 0 0 74 -21,-2.9 -1,-0.2 -2,-0.6 -20,-0.1 0.865 88.0 59.9 -61.5 -41.9 -84.0 46.8 -9.4 27 59 A S T 345S+ 0 0 104 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.843 130.0 3.9 -57.3 -40.1 -84.2 45.1 -12.8 28 60 A D T <45S- 0 0 78 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.271 95.6-111.7-133.0 11.4 -83.0 41.7 -11.6 29 61 A N T <5 + 0 0 121 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.768 54.7 169.5 57.5 27.2 -82.7 42.0 -7.8 30 62 A L E < -B 25 0A 59 -5,-0.6 -5,-3.3 1,-0.1 2,-0.3 -0.507 37.6-119.6 -65.7 132.6 -78.9 41.6 -8.1 31 63 A P E +B 24 0A 28 0, 0.0 59,-1.4 0, 0.0 2,-0.3 -0.643 43.9 172.4 -71.4 131.6 -77.2 42.4 -4.8 32 64 A V E -BC 23 89A 0 -9,-2.5 -9,-2.3 -2,-0.3 2,-0.4 -0.881 33.0-129.7-133.0 167.3 -74.8 45.4 -5.2 33 65 A A E -BC 22 88A 14 55,-3.1 55,-3.2 -2,-0.3 2,-0.6 -0.978 20.8-151.3-114.0 136.9 -72.6 47.7 -3.1 34 66 A I E -BC 21 87A 1 -13,-3.4 -13,-2.8 -2,-0.4 2,-0.6 -0.920 12.6-165.9-112.9 113.1 -73.0 51.4 -3.8 35 67 A K E -BC 20 86A 7 51,-3.1 51,-2.8 -2,-0.6 2,-0.5 -0.872 5.7-164.0-111.6 121.5 -69.9 53.4 -3.1 36 68 A H E -BC 19 85A 39 -17,-3.2 -17,-2.1 -2,-0.6 2,-0.5 -0.876 7.5-176.3-102.3 124.5 -69.9 57.2 -2.9 37 69 A V E - C 0 84A 14 47,-2.6 47,-2.3 -2,-0.5 2,-0.2 -0.980 24.8-126.5-123.1 122.7 -66.6 59.0 -3.1 38 70 A E E > - C 0 83A 133 -2,-0.5 3,-1.6 45,-0.2 4,-0.3 -0.433 10.1-138.2 -67.3 132.2 -66.4 62.8 -2.7 39 71 A K G > S+ 0 0 47 43,-2.8 3,-1.6 1,-0.3 44,-0.1 0.888 104.0 58.7 -55.6 -39.8 -64.8 64.7 -5.5 40 72 A D G 3 S+ 0 0 144 42,-0.5 -1,-0.3 1,-0.3 43,-0.1 0.648 104.3 52.7 -67.5 -12.8 -62.9 66.9 -3.0 41 73 A R G < S+ 0 0 75 -3,-1.6 2,-0.6 -24,-0.0 -1,-0.3 0.420 86.9 97.2-103.1 -1.2 -61.3 63.8 -1.5 42 74 A I < + 0 0 25 -3,-1.6 3,-0.1 -4,-0.3 114,-0.0 -0.804 33.3 159.3 -93.6 120.5 -60.0 62.4 -4.8 43 75 A S + 0 0 102 -2,-0.6 2,-0.9 1,-0.1 -1,-0.2 0.730 60.9 71.7-105.4 -35.6 -56.3 63.2 -5.5 44 76 A D - 0 0 62 112,-0.2 12,-2.6 114,-0.0 13,-0.4 -0.738 66.4-176.6 -86.9 108.4 -55.6 60.4 -8.0 45 77 A W E -E 55 0B 67 -2,-0.9 2,-0.3 10,-0.3 8,-0.1 -0.839 0.4-173.4-108.3 143.6 -57.3 61.3 -11.3 46 78 A G E -E 54 0B 9 8,-3.8 8,-2.7 -2,-0.4 2,-0.4 -0.799 20.2-119.1-131.4 170.7 -57.3 59.0 -14.3 47 79 A E E -E 53 0B 125 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.944 20.3-136.5-119.0 132.9 -58.4 59.0 -17.9 48 80 A L > - 0 0 21 4,-1.8 3,-2.5 -2,-0.4 4,-0.2 -0.448 30.0-109.3 -78.9 155.2 -60.8 56.7 -19.5 49 81 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.845 123.6 54.2 -51.2 -35.6 -60.2 55.1 -23.0 50 82 A N T 3 S- 0 0 123 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.447 127.6-102.9 -80.1 0.7 -63.0 57.4 -24.3 51 83 A G < + 0 0 41 -3,-2.5 2,-0.4 1,-0.2 -4,-0.1 0.943 68.1 148.8 80.9 52.7 -61.1 60.3 -22.9 52 84 A T - 0 0 41 -4,-0.2 -4,-1.8 2,-0.0 2,-0.6 -0.949 51.5-117.9-120.7 138.2 -63.0 61.2 -19.7 53 85 A R E +E 47 0B 156 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.0 -0.628 53.6 154.2 -73.0 116.5 -61.8 62.7 -16.4 54 86 A V E -E 46 0B 0 -8,-2.7 -8,-3.8 -2,-0.6 5,-0.1 -0.953 50.2 -83.2-145.2 152.4 -62.5 60.0 -13.9 55 87 A P E >> -E 45 0B 4 0, 0.0 4,-1.4 0, 0.0 3,-1.2 -0.360 37.3-124.5 -58.0 141.8 -61.1 58.8 -10.5 56 88 A M H 3> S+ 0 0 21 -12,-2.6 4,-3.0 1,-0.3 5,-0.3 0.878 111.3 67.3 -52.7 -37.6 -58.1 56.5 -10.8 57 89 A E H 3> S+ 0 0 18 -13,-0.4 4,-2.3 1,-0.3 -1,-0.3 0.859 100.0 48.8 -51.5 -39.3 -60.0 54.1 -8.7 58 90 A V H <> S+ 0 0 1 -3,-1.2 4,-2.4 2,-0.2 -1,-0.3 0.914 109.9 50.5 -69.2 -42.8 -62.5 53.7 -11.6 59 91 A V H X S+ 0 0 20 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.921 112.8 47.2 -59.7 -43.7 -59.6 53.2 -14.2 60 92 A L H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.910 109.8 52.6 -67.0 -44.4 -58.1 50.5 -11.9 61 93 A L H >X S+ 0 0 4 -4,-2.3 4,-2.2 -5,-0.3 3,-0.7 0.920 109.3 48.5 -58.2 -46.0 -61.4 48.7 -11.4 62 94 A K H 3< S+ 0 0 146 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 108.7 54.0 -65.4 -34.8 -62.2 48.5 -15.1 63 95 A K H 3< S+ 0 0 93 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.758 121.0 32.3 -65.5 -22.6 -58.7 47.1 -15.8 64 96 A V H << S+ 0 0 0 -4,-1.0 2,-1.9 -3,-0.7 -2,-0.2 0.651 93.6 94.8-109.3 -22.1 -59.2 44.4 -13.3 65 97 A S < + 0 0 21 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.1 -0.236 53.3 111.1 -86.8 56.7 -62.9 43.7 -13.5 66 98 A S S S- 0 0 77 -2,-1.9 2,-2.2 2,-0.1 -1,-0.0 -0.902 85.2 -53.1-134.2 113.4 -63.3 40.9 -15.9 67 99 A G S S+ 0 0 66 -2,-0.4 2,-0.4 2,-0.1 -2,-0.1 -0.279 97.1 98.9 74.8 -57.3 -64.3 37.3 -15.1 68 100 A F > - 0 0 75 -2,-2.2 3,-0.7 -4,-0.2 -2,-0.1 -0.570 62.1-150.7 -74.5 128.9 -62.1 36.2 -12.3 69 101 A S T 3 S+ 0 0 36 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.108 73.1 94.3 -91.4 19.2 -64.0 36.5 -9.2 70 102 A G T 3 S+ 0 0 6 81,-0.1 82,-2.6 51,-0.1 2,-0.4 0.564 85.8 52.7 -87.0 -9.5 -61.1 37.2 -6.8 71 103 A V B < S-f 152 0C 0 -3,-0.7 2,-0.3 80,-0.3 82,-0.2 -0.975 98.1-106.8-124.4 139.4 -61.6 40.9 -7.2 72 104 A I - 0 0 8 80,-2.5 2,-0.3 -2,-0.4 -8,-0.1 -0.532 42.0-129.4 -68.0 124.3 -64.9 42.7 -6.6 73 105 A R - 0 0 63 -2,-0.3 16,-2.2 -4,-0.1 2,-0.5 -0.574 4.8-129.6 -85.6 135.5 -66.2 43.8 -10.0 74 106 A L E -D 88 0A 27 -2,-0.3 14,-0.2 -13,-0.3 3,-0.1 -0.709 23.6-178.6 -78.6 121.4 -67.3 47.3 -11.0 75 107 A L E - 0 0 64 12,-3.3 2,-0.3 -2,-0.5 13,-0.2 0.780 60.8 -30.2 -94.2 -31.3 -70.7 47.0 -12.6 76 108 A D E -D 87 0A 58 11,-1.4 11,-3.1 2,-0.0 -1,-0.4 -0.971 54.1-149.4-172.3 172.5 -71.3 50.7 -13.4 77 109 A W E -D 86 0A 66 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.987 3.4-160.2-156.6 158.7 -70.6 54.2 -12.2 78 110 A F E -D 85 0A 45 7,-2.4 7,-2.8 -2,-0.3 2,-0.5 -0.988 15.1-134.3-141.6 145.9 -72.1 57.7 -12.2 79 111 A E E -D 84 0A 106 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.895 23.7-176.9-102.4 133.8 -70.8 61.2 -11.8 80 112 A R - 0 0 84 3,-3.3 3,-0.3 -2,-0.5 -41,-0.0 -0.721 44.0 -91.8-116.4 169.3 -72.7 63.6 -9.5 81 113 A P S S+ 0 0 101 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.898 121.3 11.5 -46.8 -49.6 -72.0 67.3 -8.8 82 114 A D S S+ 0 0 114 -43,-0.1 -43,-2.8 -44,-0.0 -42,-0.5 0.276 130.1 28.3-118.6 9.9 -69.7 66.7 -5.8 83 115 A S E -C 38 0A 19 -45,-0.3 -3,-3.3 -3,-0.3 2,-0.4 -0.975 63.1-122.5-158.1 165.9 -69.1 62.9 -6.0 84 116 A F E -CD 37 79A 0 -47,-2.3 -47,-2.6 -2,-0.3 2,-0.5 -0.921 22.0-150.4-110.9 147.4 -68.8 59.8 -8.0 85 117 A V E -CD 36 78A 0 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.986 9.6-162.6-119.1 125.8 -71.0 56.8 -7.3 86 118 A L E -CD 35 77A 1 -51,-2.8 -51,-3.1 -2,-0.5 2,-0.6 -0.907 7.9-149.4-108.6 133.3 -69.6 53.3 -8.1 87 119 A I E -CD 34 76A 0 -11,-3.1 -12,-3.3 -2,-0.4 -11,-1.4 -0.906 24.3-178.8-102.7 121.8 -71.9 50.2 -8.4 88 120 A L E -CD 33 74A 17 -55,-3.2 -55,-3.1 -2,-0.6 -14,-0.2 -0.852 31.1-102.6-124.0 151.9 -70.1 47.1 -7.3 89 121 A E E -C 32 0A 30 -16,-2.2 -57,-0.2 -2,-0.3 -1,-0.0 -0.317 35.9-155.3 -65.9 147.8 -71.0 43.4 -7.2 90 122 A R - 0 0 27 -59,-1.4 2,-0.1 -58,-0.1 -1,-0.0 -0.927 5.2-145.1-133.6 120.1 -71.9 42.2 -3.7 91 123 A P - 0 0 15 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.373 25.6-124.8 -73.8 157.8 -71.7 38.6 -2.5 92 124 A E S S+ 0 0 120 1,-0.4 2,-0.1 -2,-0.1 52,-0.1 -0.891 88.0 25.2-161.7 120.8 -74.2 37.4 0.0 93 125 A P S S+ 0 0 53 0, 0.0 52,-1.4 0, 0.0 53,-0.5 0.531 91.5 152.9 -83.0 162.6 -73.9 36.2 2.6 94 126 A V E -G 144 0C 50 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.959 25.9-173.7-149.4 153.3 -70.6 37.8 3.2 95 127 A Q E -G 143 0C 34 48,-1.3 48,-2.4 -2,-0.3 2,-0.1 -0.940 31.4-115.4-148.7 139.1 -68.3 38.9 6.0 96 128 A D E > -G 142 0C 40 -2,-0.3 4,-2.1 46,-0.2 46,-0.2 -0.363 26.6-116.7 -71.9 161.0 -65.1 40.8 5.8 97 129 A L H > S+ 0 0 0 44,-2.6 4,-2.7 41,-0.9 5,-0.3 0.805 111.8 59.8 -71.2 -31.0 -61.9 39.1 6.9 98 130 A F H > S+ 0 0 84 40,-0.9 4,-2.2 43,-0.3 -1,-0.2 0.954 111.1 40.3 -60.2 -49.6 -61.3 41.7 9.7 99 131 A D H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.875 113.1 55.9 -64.4 -39.1 -64.6 40.8 11.3 100 132 A F H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.937 111.8 42.0 -61.2 -47.5 -64.1 37.1 10.6 101 133 A I H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.880 112.4 55.4 -68.0 -37.9 -60.8 37.1 12.5 102 134 A T H < S+ 0 0 93 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.955 114.8 38.8 -59.0 -49.4 -62.2 39.3 15.2 103 135 A E H < S+ 0 0 155 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 127.7 32.1 -64.6 -47.8 -65.1 36.8 15.9 104 136 A R H < S- 0 0 108 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.647 96.4-143.8 -91.0 -17.8 -63.1 33.6 15.4 105 137 A G < + 0 0 30 -4,-2.7 -1,-0.3 -5,-0.3 101,-0.2 -0.428 62.6 2.3 78.7-164.6 -59.7 34.6 16.7 106 138 A A S S- 0 0 38 99,-0.3 2,-0.3 -2,-0.1 98,-0.2 -0.258 85.0-117.9 -57.0 136.9 -56.5 33.3 15.1 107 139 A L - 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0 0 34 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.431 31.6-131.7 -76.9 152.8 -51.0 42.5 13.3 209 241 A P S S+ 0 0 17 0, 0.0 2,-0.4 0, 0.0 13,-0.1 0.816 83.4 42.1 -79.3 -30.6 -47.3 42.2 14.2 210 242 A F + 0 0 4 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.929 44.6 167.7-122.6 142.7 -46.3 45.8 14.3 211 243 A E + 0 0 132 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.730 66.0 50.9-111.6 -45.1 -48.0 48.9 15.7 212 244 A H S >> S- 0 0 88 1,-0.1 4,-1.8 -38,-0.0 3,-1.0 -0.671 81.6-115.4-104.6 152.4 -45.3 51.7 15.7 213 245 A D H 3> S+ 0 0 57 1,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.834 115.5 54.2 -45.5 -43.7 -42.9 52.9 13.1 214 246 A E H 3> S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.822 106.2 52.2 -70.8 -29.1 -39.9 51.8 15.1 215 247 A E H <> S+ 0 0 81 -3,-1.0 4,-2.3 2,-0.2 5,-0.5 0.894 109.7 49.4 -68.8 -41.7 -41.3 48.3 15.3 216 248 A I H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.923 113.1 47.1 -60.7 -44.8 -41.8 48.2 11.5 217 249 A I H < S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 112.4 48.0 -68.2 -37.7 -38.2 49.4 10.9 218 250 A R H < S- 0 0 182 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.884 89.8-163.1 -70.4 -35.8 -36.8 46.9 13.4 219 251 A G < + 0 0 15 -4,-2.3 2,-0.6 1,-0.2 -3,-0.1 0.745 27.0 155.3 62.4 28.4 -38.8 44.2 11.7 220 252 A Q - 0 0 127 -5,-0.5 2,-0.5 -11,-0.0 -1,-0.2 -0.781 30.6-150.6 -92.0 119.4 -38.5 41.6 14.5 221 253 A V - 0 0 8 -2,-0.6 2,-0.4 11,-0.0 -11,-0.0 -0.780 13.5-174.3 -95.2 128.2 -41.4 39.2 14.4 222 254 A F - 0 0 151 -2,-0.5 2,-0.6 -13,-0.1 -2,-0.0 -0.978 19.1-137.4-116.9 132.6 -42.6 37.6 17.6 223 255 A F - 0 0 25 -2,-0.4 4,-0.1 1,-0.1 -18,-0.0 -0.809 19.2-179.5 -94.0 123.0 -45.3 34.9 17.5 224 256 A R S S+ 0 0 108 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.544 71.7 47.1 -96.2 -12.4 -48.0 35.2 20.2 225 257 A Q S S- 0 0 98 0, 0.0 2,-0.4 0, 0.0 -21,-0.0 -0.868 103.4 -86.4-124.1 159.5 -49.8 32.1 19.1 226 258 A R + 0 0 209 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.564 56.0 171.5 -66.4 119.2 -48.6 28.6 18.2 227 259 A V - 0 0 3 -2,-0.4 -4,-0.1 -4,-0.1 5,-0.0 -0.997 34.5-105.4-134.3 136.2 -47.7 28.8 14.5 228 260 A S > - 0 0 24 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.135 26.6-117.3 -60.8 156.1 -45.9 26.1 12.5 229 261 A S H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.859 114.6 52.4 -63.4 -37.5 -42.3 26.5 11.6 230 262 A E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.933 111.8 46.3 -64.0 -45.9 -43.0 26.5 7.9 231 263 A C H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.920 111.5 50.9 -64.1 -42.9 -45.6 29.2 8.4 232 264 A Q H X S+ 0 0 45 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.906 109.9 51.8 -58.6 -44.2 -43.2 31.3 10.6 233 265 A H H X S+ 0 0 106 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.929 109.7 47.8 -58.8 -48.0 -40.5 31.0 8.0 234 266 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.911 112.8 49.3 -61.5 -42.8 -42.8 32.2 5.2 235 267 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.950 111.4 47.3 -61.9 -49.5 -44.0 35.1 7.2 236 268 A R H < S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.815 110.8 54.3 -65.8 -26.0 -40.5 36.2 8.2 237 269 A W H >< S+ 0 0 71 -4,-1.9 3,-1.3 -5,-0.2 -1,-0.2 0.909 108.5 46.6 -71.0 -43.8 -39.4 35.9 4.6 238 270 A C H 3< S+ 0 0 0 -4,-2.3 -41,-0.2 1,-0.3 -2,-0.2 0.819 112.9 53.0 -65.2 -30.3 -42.2 38.2 3.3 239 271 A L T 3< S+ 0 0 4 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.016 76.2 145.4 -97.4 26.8 -41.2 40.6 6.1 240 272 A A < - 0 0 18 -3,-1.3 6,-0.1 1,-0.1 5,-0.1 -0.427 52.5-132.7 -61.0 137.2 -37.6 40.8 5.2 241 273 A L S S+ 0 0 82 -23,-0.1 -62,-0.2 -2,-0.1 -1,-0.1 0.941 93.4 63.2 -59.3 -50.3 -36.2 44.3 5.9 242 274 A R S > S- 0 0 157 1,-0.1 3,-2.2 -64,-0.1 4,-0.4 -0.674 81.9-141.5 -77.9 122.6 -34.5 44.6 2.5 243 275 A P G > S+ 0 0 48 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.831 102.1 57.6 -51.5 -38.0 -37.1 44.5 -0.3 244 276 A S G 3 S+ 0 0 91 1,-0.3 -3,-0.1 -3,-0.0 -2,-0.0 0.662 98.2 61.3 -70.2 -15.9 -34.7 42.4 -2.4 245 277 A D G < S+ 0 0 88 -3,-2.2 -1,-0.3 -5,-0.1 -4,-0.1 0.537 86.8 99.4 -84.7 -5.9 -34.6 39.8 0.3 246 278 A R S < S- 0 0 15 -3,-1.5 -8,-0.2 -4,-0.4 -9,-0.1 -0.489 80.2-106.0 -82.0 151.8 -38.4 39.2 -0.0 247 279 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.353 28.2-120.2 -71.5 153.1 -39.9 36.3 -2.0 248 280 A T > - 0 0 74 1,-0.1 4,-2.4 -55,-0.0 5,-0.2 -0.405 34.4-102.5 -76.6 168.8 -41.5 36.7 -5.4 249 281 A F H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 126.6 53.2 -61.2 -38.8 -45.1 35.7 -5.7 250 282 A E H > S+ 0 0 141 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 108.8 49.6 -60.4 -42.8 -43.9 32.5 -7.4 251 283 A E H 4 S+ 0 0 84 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.864 109.4 50.9 -66.2 -39.3 -41.6 31.8 -4.5 252 284 A I H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 6,-0.2 0.958 111.8 47.2 -60.2 -49.8 -44.4 32.4 -1.9 253 285 A Q H 3< S+ 0 0 10 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.727 112.5 49.4 -70.7 -19.3 -46.7 30.0 -3.8 254 286 A N T 3< S+ 0 0 105 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.412 84.4 119.3 -93.9 1.2 -44.0 27.4 -4.1 255 287 A H S X S- 0 0 8 -3,-1.5 3,-1.6 -4,-0.4 4,-0.2 -0.367 76.6-118.2 -65.5 145.5 -43.2 27.6 -0.3 256 288 A P G > S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.841 113.1 59.5 -55.2 -34.4 -43.7 24.3 1.6 257 289 A W G 3 S+ 0 0 6 1,-0.2 -26,-0.1 -27,-0.2 -4,-0.1 0.750 101.1 57.3 -65.2 -21.0 -46.3 25.9 3.8 258 290 A M G < S+ 0 0 2 -3,-1.6 3,-0.5 -6,-0.2 -1,-0.2 0.385 81.5 114.9 -92.6 1.1 -48.4 26.7 0.7 259 291 A Q S < S+ 0 0 85 -3,-1.4 -5,-0.1 -4,-0.2 -146,-0.0 -0.355 71.2 17.0 -78.4 154.4 -48.7 23.1 -0.6 260 292 A D S S- 0 0 157 1,-0.1 -1,-0.2 -2,-0.1 -147,-0.0 0.838 78.8-171.1 59.0 41.2 -52.0 21.2 -0.9 261 293 A V - 0 0 42 -3,-0.5 2,-0.2 -148,-0.1 -1,-0.1 -0.290 22.8-114.2 -60.8 145.5 -54.3 24.1 -0.6 262 294 A L - 0 0 25 -152,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.533 29.8-108.6 -74.0 148.3 -58.1 23.4 -0.2 263 295 A L > - 0 0 110 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.407 34.8-108.2 -66.6 154.2 -60.5 24.4 -3.0 264 296 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.922 119.8 49.5 -52.7 -47.0 -62.7 27.3 -2.0 265 297 A Q H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.870 110.2 49.9 -64.0 -36.6 -65.8 25.0 -1.7 266 298 A E H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 109.2 54.7 -64.6 -36.6 -63.9 22.5 0.5 267 299 A T H X>S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.6 0.914 109.3 45.5 -64.4 -43.7 -62.9 25.4 2.6 268 300 A A H X>S+ 0 0 0 -4,-2.2 5,-2.9 -121,-0.3 4,-1.8 0.922 111.9 51.8 -66.4 -44.8 -66.4 26.6 3.1 269 301 A E H <5S+ 0 0 115 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.892 119.4 34.3 -59.8 -41.3 -67.7 23.1 3.9 270 302 A I H <5S+ 0 0 102 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.872 135.9 16.5 -81.8 -38.1 -65.0 22.4 6.5 271 303 A H H <5S+ 0 0 15 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.631 127.9 34.0-116.0 -25.3 -64.6 25.9 8.1 272 304 A L T <