==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-JAN-12 3VBQ . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIU . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 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 . 52 19.2 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.7 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 0 2 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 0 1 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 35 A E 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.6 -7.9 -41.7 9.6 2 36 A S + 0 0 101 3,-0.1 22,-0.1 0, 0.0 3,-0.0 0.195 360.0 73.8-101.3 2.7 -7.5 -45.4 10.2 3 37 A Q S S+ 0 0 80 1,-0.1 21,-2.7 21,-0.1 22,-0.5 0.731 99.7 45.0 -76.2 -17.1 -11.2 -45.1 11.5 4 38 A Y E -A 23 0A 20 19,-0.2 2,-0.5 20,-0.1 19,-0.2 -0.966 67.1-144.1-131.2 138.2 -12.5 -44.8 7.9 5 39 A Q E -A 22 0A 123 17,-2.7 17,-1.9 -2,-0.4 2,-0.4 -0.916 27.0-134.8 -95.6 137.4 -12.0 -46.4 4.5 6 40 A V E +A 21 0A 96 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.678 26.0 176.6 -91.8 133.0 -12.2 -44.1 1.7 7 41 A G E - 0 0 34 13,-3.5 3,-0.1 -2,-0.4 -1,-0.1 -0.128 46.4 -27.4-109.3-148.0 -14.2 -45.0 -1.4 8 42 A P E - 0 0 91 0, 0.0 12,-2.9 0, 0.0 -1,-0.3 -0.245 66.2 -98.9 -72.4 155.0 -14.9 -42.9 -4.6 9 43 A L E -A 19 0A 88 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.458 31.1-168.3 -61.3 128.5 -15.1 -39.1 -4.9 10 44 A L E - 0 0 106 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.790 59.9 -41.7 -94.1 -35.1 -18.7 -38.1 -4.8 11 45 A G E -A 18 0A 25 7,-1.9 7,-3.2 2,-0.0 -1,-0.4 -0.976 48.9-153.3-176.5 169.9 -18.2 -34.4 -5.9 12 46 A S E +A 17 0A 71 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.990 33.8 100.6-150.8 154.4 -16.0 -31.3 -5.5 13 47 A G E > S-A 16 0A 43 3,-2.8 3,-1.7 -2,-0.3 -2,-0.0 -0.874 85.9 -12.5 177.2-143.0 -16.4 -27.6 -5.9 14 48 A G T 3 S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.941 130.5 61.1 -46.7 -49.7 -16.8 -24.4 -3.9 15 49 A F T 3 S- 0 0 73 1,-0.1 2,-0.3 20,-0.1 -1,-0.2 0.317 113.0-120.9 -61.4 5.8 -17.6 -26.9 -1.0 16 50 A G E < -A 13 0A 16 -3,-1.7 -3,-2.8 19,-0.1 2,-0.4 -0.683 57.7 -39.4 82.6-134.0 -14.0 -28.5 -1.2 17 51 A S E -AB 12 34A 41 17,-1.6 17,-3.3 -2,-0.3 2,-0.4 -0.982 51.1-161.5-131.9 142.0 -14.1 -32.4 -2.0 18 52 A V E -AB 11 33A 24 -7,-3.2 -8,-3.2 -2,-0.4 -7,-1.9 -0.973 8.8-170.2-126.3 133.2 -16.5 -35.0 -0.7 19 53 A Y E -AB 9 32A 74 13,-2.3 13,-3.5 -2,-0.4 -10,-0.2 -0.883 25.7-117.6-121.4 150.3 -15.9 -38.8 -0.8 20 54 A S E + B 0 31A 15 -12,-2.9 -13,-3.5 -2,-0.3 2,-0.3 -0.548 48.0 161.7 -73.1 146.3 -17.9 -41.9 -0.1 21 55 A G E -AB 6 30A 2 9,-2.2 9,-2.5 -15,-0.3 2,-0.4 -0.944 33.3-129.8-156.3 177.7 -16.5 -43.9 2.8 22 56 A I E -AB 5 29A 61 -17,-1.9 -17,-2.7 -2,-0.3 2,-0.6 -0.998 24.0-122.4-138.3 140.3 -17.2 -46.5 5.4 23 57 A R E >> -AB 4 28A 63 5,-2.6 4,-1.7 -2,-0.4 5,-0.5 -0.731 24.9-146.9 -82.3 119.7 -16.7 -46.4 9.2 24 58 A V T 45S+ 0 0 64 -21,-2.7 -1,-0.2 -2,-0.6 -20,-0.1 0.860 87.6 61.8 -61.7 -37.1 -14.4 -49.4 9.7 25 59 A S T 45S+ 0 0 106 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.896 128.4 4.5 -62.9 -43.5 -15.7 -50.3 13.2 26 60 A D T 45S- 0 0 87 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.231 96.1-113.1-125.8 16.0 -19.3 -51.1 12.2 27 61 A N T <5 + 0 0 120 -4,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.646 54.8 167.5 57.3 22.7 -19.4 -50.7 8.4 28 62 A L E < -B 23 0A 60 -5,-0.5 -5,-2.6 -6,-0.1 -1,-0.2 -0.418 39.1-118.6 -68.7 128.7 -21.6 -47.6 8.6 29 63 A P E +B 22 0A 34 0, 0.0 59,-1.0 0, 0.0 2,-0.3 -0.496 45.0 169.7 -64.5 134.5 -21.8 -45.8 5.3 30 64 A V E -BC 21 87A 0 -9,-2.5 -9,-2.2 57,-0.2 2,-0.4 -0.915 33.0-131.7-136.1 168.6 -20.4 -42.2 5.6 31 65 A A E -BC 20 86A 13 55,-2.6 55,-2.8 -2,-0.3 2,-0.6 -0.978 19.2-149.9-118.5 142.9 -19.5 -39.3 3.5 32 66 A I E -BC 19 85A 10 -13,-3.5 -13,-2.3 -2,-0.4 2,-0.6 -0.927 12.5-166.2-117.4 110.6 -16.1 -37.6 4.1 33 67 A K E -BC 18 84A 8 51,-3.2 51,-2.9 -2,-0.6 2,-0.6 -0.856 5.9-158.8-107.3 122.9 -16.0 -33.9 3.4 34 68 A H E -BC 17 83A 43 -17,-3.3 -17,-1.6 -2,-0.6 2,-0.5 -0.858 7.9-168.9-102.2 125.4 -12.7 -32.0 3.1 35 69 A V E - C 0 82A 12 47,-2.9 47,-2.2 -2,-0.6 2,-0.2 -0.968 19.6-131.8-118.3 116.8 -13.0 -28.3 3.6 36 70 A E E > - C 0 81A 109 -2,-0.5 3,-1.7 45,-0.2 4,-0.4 -0.496 10.7-137.4 -68.0 133.0 -9.8 -26.2 2.8 37 71 A K G > S+ 0 0 41 43,-2.7 3,-1.3 1,-0.3 44,-0.1 0.885 101.9 62.0 -59.2 -34.9 -9.0 -23.6 5.6 38 72 A D G 3 S+ 0 0 147 42,-0.4 -1,-0.3 1,-0.3 43,-0.1 0.591 104.4 47.5 -61.7 -12.5 -8.3 -20.9 3.0 39 73 A R G < S+ 0 0 176 -3,-1.7 2,-0.7 -24,-0.0 -1,-0.3 0.395 83.0 103.0-118.0 -1.9 -11.8 -21.1 1.7 40 74 A I < + 0 0 20 -3,-1.3 3,-0.1 -4,-0.4 114,-0.0 -0.802 40.9 176.4 -83.8 115.5 -13.6 -20.9 5.0 41 75 A S + 0 0 88 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.812 66.0 52.5 -81.7 -37.9 -15.0 -17.3 5.4 42 76 A D - 0 0 66 115,-0.0 12,-3.3 0, 0.0 13,-0.4 -0.916 62.0-177.9-116.1 131.6 -16.8 -18.0 8.7 43 77 A W E -E 53 0B 81 -2,-0.5 2,-0.2 10,-0.3 8,-0.0 -0.736 1.8-179.0-120.3 153.1 -15.4 -19.4 11.8 44 78 A G E -E 52 0B 13 8,-2.9 8,-2.0 -2,-0.3 2,-0.3 -0.704 19.2-125.5-135.5-170.6 -17.2 -20.2 15.0 45 79 A E E -E 51 0B 128 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.995 16.3-116.9-144.5 152.3 -16.0 -21.6 18.2 46 80 A L > - 0 0 18 4,-2.6 2,-4.5 -2,-0.3 3,-2.8 -0.612 41.4 -96.5 -88.9 150.7 -17.0 -24.5 20.4 47 81 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.073 126.8 49.7 -49.6 33.5 -18.4 -24.1 24.0 48 82 A N T 3 S- 0 0 120 -2,-4.5 2,-0.3 2,-0.2 -2,-0.0 0.091 122.6 -97.6-161.0 24.4 -14.8 -24.8 25.0 49 83 A G S < S+ 0 0 46 -3,-2.8 0, 0.0 1,-0.2 0, 0.0 -0.009 71.6 142.6 87.9 -31.8 -12.8 -22.4 22.9 50 84 A T - 0 0 65 -2,-0.3 -4,-2.6 -5,-0.1 2,-0.6 -0.181 52.8-125.6 -46.2 128.0 -11.7 -24.7 20.0 51 85 A R E +E 45 0B 161 -6,-0.2 -6,-0.2 -8,-0.0 -1,-0.1 -0.750 40.4 171.1 -85.4 116.5 -11.8 -22.6 16.7 52 86 A V E -E 44 0B 0 -8,-2.0 -8,-2.9 -2,-0.6 2,-0.1 -0.790 42.2 -90.9-123.6 158.9 -14.1 -24.4 14.0 53 87 A P E >> -E 43 0B 3 0, 0.0 3,-1.3 0, 0.0 4,-1.2 -0.505 41.6-121.0 -59.3 145.9 -15.6 -23.7 10.6 54 88 A M H 3> S+ 0 0 26 -12,-3.3 4,-3.0 1,-0.3 5,-0.3 0.871 112.3 69.5 -54.3 -35.1 -19.1 -22.1 11.2 55 89 A E H 3> S+ 0 0 18 -13,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.887 97.3 50.2 -51.9 -38.8 -20.4 -25.1 9.1 56 90 A V H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.930 110.1 48.7 -68.3 -40.4 -19.4 -27.4 12.1 57 91 A V H X S+ 0 0 25 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.954 113.8 48.4 -60.7 -45.9 -21.3 -25.1 14.6 58 92 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.924 110.5 49.3 -62.9 -44.5 -24.3 -25.1 12.4 59 93 A L H X S+ 0 0 1 -4,-2.4 4,-0.9 -5,-0.3 13,-0.3 0.899 109.9 51.7 -63.1 -41.3 -24.4 -28.8 11.8 60 94 A K H >X S+ 0 0 100 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.916 106.5 55.6 -61.9 -40.0 -24.1 -29.4 15.6 61 95 A K H 3< S+ 0 0 84 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.844 116.3 35.1 -57.6 -35.4 -27.1 -27.1 16.2 62 96 A V H 3< S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.483 91.6 94.4-100.8 -0.9 -29.4 -29.0 13.9 63 97 A S H << S+ 0 0 28 -4,-0.9 2,-0.5 -3,-0.6 3,-0.4 0.855 74.5 84.5 -54.6 -33.6 -27.8 -32.5 14.8 64 98 A S S < S- 0 0 65 -4,-0.5 3,-0.1 -3,-0.2 -1,-0.1 -0.547 91.7 -5.5 -79.4 110.4 -30.6 -32.9 17.4 65 99 A G S S+ 0 0 75 -2,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.741 103.3 54.7 93.0 23.9 -34.1 -34.1 16.9 66 100 A F - 0 0 95 -3,-0.4 -1,-0.3 -4,-0.2 54,-0.0 -0.674 56.1-142.2-147.4-153.5 -35.1 -34.8 13.3 67 101 A S S S+ 0 0 52 -2,-0.2 4,-0.1 81,-0.1 53,-0.1 0.082 83.0 85.0-155.9 -12.2 -33.9 -36.9 10.3 68 102 A G S S+ 0 0 7 81,-0.1 82,-2.6 51,-0.1 2,-0.4 0.475 86.0 63.7 -81.3 -1.3 -34.6 -34.5 7.3 69 103 A V B S-f 150 0C 10 80,-0.2 82,-0.2 -7,-0.1 -3,-0.1 -0.961 99.5 -99.1-120.7 145.1 -31.3 -32.7 7.9 70 104 A I - 0 0 7 80,-2.4 2,-0.5 -2,-0.4 -8,-0.1 -0.334 36.4-127.6 -62.5 142.7 -27.9 -34.4 7.4 71 105 A R - 0 0 114 -4,-0.1 16,-2.4 -8,-0.0 2,-0.5 -0.824 7.8-141.7 -98.7 125.1 -26.2 -35.6 10.6 72 106 A L E +D 86 0A 13 -2,-0.5 14,-0.2 -13,-0.3 3,-0.1 -0.764 20.9 179.6 -78.1 121.2 -22.5 -34.7 11.5 73 107 A L E - 0 0 54 12,-3.4 2,-0.3 -2,-0.5 13,-0.2 0.749 58.8 -25.6 -94.5 -32.5 -21.0 -37.8 13.1 74 108 A D E -D 85 0A 59 11,-1.2 11,-3.1 2,-0.0 -1,-0.4 -0.972 53.5-152.9-169.2 166.4 -17.4 -36.5 13.7 75 109 A W E -D 84 0A 52 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.978 4.2-161.9-153.1 159.2 -14.8 -34.0 12.5 76 110 A F E -D 83 0A 49 7,-2.3 7,-2.7 -2,-0.3 2,-0.4 -0.971 14.2-134.8-138.5 150.6 -11.1 -33.8 12.5 77 111 A E E +D 82 0A 112 -2,-0.3 5,-0.2 5,-0.2 -25,-0.0 -0.896 22.8 179.8-109.0 143.7 -8.6 -30.9 12.1 78 112 A R E > -D 81 0A 131 3,-2.7 3,-0.6 -2,-0.4 -2,-0.0 -0.827 46.8 -90.2-131.5 168.4 -5.5 -31.1 9.8 79 113 A P T 3 S+ 0 0 111 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.872 121.1 12.8 -55.0 -39.8 -2.9 -28.6 9.0 80 114 A D T 3 S+ 0 0 121 -43,-0.0 -43,-2.7 -44,-0.0 -42,-0.4 0.294 128.3 28.1-116.9 7.5 -4.6 -27.0 6.0 81 115 A S E < -CD 36 78A 19 -3,-0.6 -3,-2.7 -45,-0.3 2,-0.4 -0.958 63.4-123.7-156.6 158.7 -8.2 -28.4 6.2 82 116 A F E -CD 35 77A 2 -47,-2.2 -47,-2.9 -2,-0.3 2,-0.5 -0.928 22.1-147.0-106.6 154.5 -11.0 -29.7 8.3 83 117 A V E -CD 34 76A 8 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.5 -0.982 11.0-163.8-123.9 116.5 -12.5 -33.1 7.7 84 118 A L E -CD 33 75A 0 -51,-2.9 -51,-3.2 -2,-0.5 2,-0.7 -0.909 8.6-150.5-102.0 133.4 -16.2 -33.6 8.4 85 119 A I E -CD 32 74A 2 -11,-3.1 -12,-3.4 -2,-0.5 -11,-1.2 -0.877 23.9-178.3-101.8 116.0 -17.7 -37.1 8.7 86 120 A L E -CD 31 72A 17 -55,-2.8 -55,-2.6 -2,-0.7 -14,-0.2 -0.800 31.0-100.5-113.7 153.9 -21.4 -37.1 7.6 87 121 A E E -C 30 0A 48 -16,-2.4 -57,-0.2 -2,-0.3 -1,-0.1 -0.256 33.9-157.3 -62.1 156.5 -24.1 -39.7 7.5 88 122 A R - 0 0 31 -59,-1.0 -1,-0.0 -58,-0.1 2,-0.0 -0.846 5.4-148.0-144.1 108.4 -24.7 -41.3 4.1 89 123 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 52,-0.1 -0.370 28.2-124.3 -62.2 151.4 -28.1 -43.1 3.2 90 124 A E S S+ 0 0 129 1,-0.3 2,-0.2 -61,-0.1 52,-0.1 -0.886 90.8 30.2-151.4 126.0 -27.6 -45.9 0.7 91 125 A P S S+ 0 0 51 0, 0.0 52,-1.3 0, 0.0 53,-0.6 0.465 92.5 155.2 -76.8 150.7 -28.9 -46.2 -1.9 92 126 A V E -G 142 0C 51 50,-0.2 2,-0.3 -2,-0.2 50,-0.2 -0.967 27.6-165.1-140.1 153.0 -29.2 -42.5 -2.4 93 127 A Q E -G 141 0C 36 48,-1.9 48,-2.7 -2,-0.3 2,-0.1 -0.978 27.3-118.8-139.2 141.5 -29.5 -40.1 -5.3 94 128 A D E > -G 140 0C 33 -2,-0.3 4,-2.1 46,-0.2 46,-0.2 -0.446 26.6-126.4 -71.1 143.0 -28.9 -36.3 -5.2 95 129 A L H > S+ 0 0 0 44,-3.3 4,-2.4 41,-0.5 5,-0.3 0.868 109.2 59.5 -66.5 -31.8 -32.1 -34.5 -6.3 96 130 A F H > S+ 0 0 86 40,-1.0 4,-2.4 43,-0.4 -1,-0.2 0.943 109.1 45.4 -56.2 -45.1 -30.4 -32.5 -9.0 97 131 A D H > S+ 0 0 77 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.914 110.5 54.0 -65.3 -38.1 -29.4 -35.9 -10.6 98 132 A F H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.880 110.5 44.7 -64.1 -42.7 -32.8 -37.3 -10.2 99 133 A I H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.875 109.0 57.6 -72.6 -36.5 -34.4 -34.4 -12.0 100 134 A T H < S+ 0 0 97 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.945 115.8 38.1 -52.3 -42.4 -31.7 -34.6 -14.7 101 135 A E H < S+ 0 0 139 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.831 126.3 31.1 -83.3 -34.8 -32.8 -38.2 -15.2 102 136 A R H < S- 0 0 123 -4,-2.7 -3,-0.2 1,-0.3 -1,-0.2 0.602 91.6-147.0 -99.7 -13.9 -36.6 -38.0 -14.9 103 137 A G < + 0 0 32 -4,-2.2 101,-0.3 -5,-0.2 -1,-0.3 -0.414 65.1 6.8 79.6-155.2 -37.2 -34.4 -16.2 104 138 A A S S- 0 0 37 99,-0.4 2,-0.3 1,-0.1 98,-0.2 -0.270 85.5-121.3 -59.1 138.7 -40.1 -32.5 -14.6 105 139 A L - 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0 0 14 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.306 30.9-132.0 -76.2 153.8 -34.9 -23.3 -12.7 207 241 A P S S+ 0 0 19 0, 0.0 2,-0.4 0, 0.0 13,-0.1 0.783 83.8 47.1 -75.5 -28.5 -36.9 -20.2 -13.9 208 242 A F + 0 0 5 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.957 40.3 163.4-126.7 131.0 -34.1 -17.6 -14.0 209 243 A E + 0 0 102 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.548 68.5 56.8-110.9 -19.3 -30.6 -17.7 -15.3 210 244 A H S >> S- 0 0 105 1,-0.1 4,-2.2 -38,-0.1 3,-0.6 -0.870 77.7-124.0-123.4 148.3 -29.8 -13.9 -15.4 211 245 A D H 3> S+ 0 0 54 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.859 112.6 56.2 -48.9 -46.2 -29.9 -11.1 -12.9 212 246 A E H 3> S+ 0 0 129 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 107.7 49.4 -61.1 -32.9 -32.3 -9.1 -15.1 213 247 A E H <> S+ 0 0 80 -3,-0.6 4,-2.1 2,-0.2 5,-0.4 0.891 109.6 51.3 -74.0 -42.7 -34.8 -12.1 -15.0 214 248 A I H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.957 112.0 46.6 -55.9 -46.8 -34.5 -12.4 -11.2 215 249 A I H < S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.833 110.3 51.3 -73.0 -28.4 -35.2 -8.7 -10.6 216 250 A R H < S- 0 0 176 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.864 88.2-161.0 -72.1 -37.0 -38.1 -8.6 -13.0 217 251 A G < + 0 0 17 -4,-2.1 2,-0.4 1,-0.2 -3,-0.1 0.647 33.3 149.2 71.1 14.2 -39.6 -11.7 -11.1 218 252 A Q - 0 0 115 -5,-0.4 2,-0.4 2,-0.0 -1,-0.2 -0.712 33.0-155.2 -84.7 130.2 -42.0 -12.6 -14.1 219 253 A V - 0 0 6 -2,-0.4 2,-0.4 11,-0.0 -11,-0.0 -0.930 11.5-173.6-114.7 126.1 -42.5 -16.4 -14.1 220 254 A F - 0 0 153 -2,-0.4 2,-0.5 -13,-0.1 -2,-0.0 -0.974 17.1-139.3-116.7 138.7 -43.5 -18.3 -17.3 221 255 A F + 0 0 21 -2,-0.4 4,-0.1 1,-0.1 3,-0.0 -0.873 18.8 179.9-106.3 123.0 -44.4 -22.1 -17.3 222 256 A R S S+ 0 0 123 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.427 72.4 52.4 -94.5 -11.3 -43.0 -24.2 -20.1 223 257 A Q S S- 0 0 95 0, 0.0 2,-0.4 0, 0.0 -21,-0.0 -0.881 102.7 -88.3-120.6 160.0 -44.7 -27.4 -18.7 224 258 A R + 0 0 220 -2,-0.3 2,-0.4 -3,-0.0 -2,-0.1 -0.527 55.6 170.2 -70.4 116.3 -48.3 -28.1 -17.7 225 259 A V - 0 0 4 -2,-0.4 -4,-0.1 -4,-0.1 5,-0.1 -1.000 36.4-106.1-134.0 130.7 -48.5 -27.1 -14.1 226 260 A S > - 0 0 26 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.165 26.0-118.5 -57.2 154.4 -51.7 -26.8 -12.1 227 261 A S H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.868 114.7 53.4 -66.7 -30.5 -53.1 -23.4 -11.3 228 262 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.927 110.8 45.7 -69.8 -37.3 -52.7 -24.1 -7.5 229 263 A C H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 113.6 49.1 -71.1 -43.6 -49.0 -25.1 -7.9 230 264 A Q H X S+ 0 0 44 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.882 109.2 54.2 -62.5 -35.9 -48.3 -22.0 -10.1 231 265 A H H X S+ 0 0 109 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.902 109.4 46.8 -64.0 -45.3 -50.1 -19.8 -7.5 232 266 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.924 113.1 48.8 -61.0 -47.8 -47.8 -21.1 -4.7 233 267 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.934 111.7 48.7 -57.3 -51.1 -44.6 -20.6 -6.8 234 268 A R H < S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.5 52.4 -66.8 -27.5 -45.6 -17.1 -7.8 235 269 A W H >< S+ 0 0 75 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.928 108.9 48.1 -66.2 -50.0 -46.3 -16.3 -4.1 236 270 A C H 3< S+ 0 0 0 -4,-2.4 -41,-0.2 1,-0.3 -1,-0.2 0.818 111.8 52.9 -57.7 -33.1 -42.9 -17.5 -2.9 237 271 A L T 3< S+ 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.087 76.6 146.6 -95.8 24.1 -41.4 -15.4 -5.7 238 272 A A < - 0 0 17 -3,-1.8 6,-0.1 1,-0.1 -3,-0.1 -0.343 50.7-135.4 -51.9 134.5 -43.1 -12.2 -4.8 239 273 A L S S+ 0 0 83 -23,-0.1 -62,-0.2 4,-0.1 -1,-0.1 0.931 91.4 66.1 -63.6 -44.3 -40.8 -9.2 -5.6 240 274 A R S > S- 0 0 145 1,-0.2 3,-1.7 -64,-0.1 4,-0.3 -0.667 83.3-140.3 -76.7 126.7 -41.5 -7.5 -2.2 241 275 A P G > S+ 0 0 49 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.897 100.1 54.4 -60.0 -39.6 -40.1 -9.6 0.6 242 276 A S G 3 S+ 0 0 95 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.626 98.7 63.4 -69.9 -10.2 -43.0 -9.0 3.0 243 277 A D G < S+ 0 0 77 -3,-1.7 -1,-0.3 -5,-0.1 -5,-0.1 0.450 84.2 99.0 -87.4 -1.4 -45.5 -10.2 0.3 244 278 A R S < S- 0 0 15 -3,-1.8 -8,-0.2 -4,-0.3 2,-0.1 -0.539 82.3-104.5 -85.9 152.9 -43.9 -13.8 0.4 245 279 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.390 26.6-121.7 -72.5 154.9 -45.7 -16.5 2.4 246 280 A T > - 0 0 73 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.354 37.8 -99.0 -76.2 171.1 -44.4 -17.7 5.9 247 281 A F H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 127.1 52.9 -60.4 -35.7 -43.6 -21.4 6.2 248 282 A E H > S+ 0 0 142 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.914 107.5 50.6 -66.9 -39.7 -47.0 -21.9 7.8 249 283 A E H 4 S+ 0 0 84 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.880 110.7 50.2 -64.0 -37.2 -48.7 -20.2 4.9 250 284 A I H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 6,-0.3 0.961 111.8 46.7 -62.7 -49.8 -46.9 -22.4 2.4 251 285 A Q H 3< S+ 0 0 11 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.738 113.3 49.3 -71.6 -16.5 -47.8 -25.6 4.3 252 286 A N T 3< S+ 0 0 103 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.456 84.6 119.6 -92.5 1.9 -51.5 -24.5 4.6 253 287 A H S X S- 0 0 9 -3,-1.5 3,-1.9 -4,-0.4 4,-0.4 -0.283 77.1-117.6 -65.9 151.8 -51.7 -23.6 0.9 254 288 A P G > S+ 0 0 77 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.849 114.0 59.0 -57.4 -35.1 -54.3 -25.6 -1.1 255 289 A W G 3 S+ 0 0 1 -27,-0.3 -26,-0.1 1,-0.2 -2,-0.1 0.774 101.0 57.0 -64.0 -24.1 -51.6 -27.2 -3.3 256 290 A M G X S+ 0 0 2 -3,-1.9 3,-0.6 -6,-0.3 -1,-0.2 0.479 81.8 111.9 -90.9 5.2 -49.9 -28.7 -0.1 257 291 A Q T < S+ 0 0 89 -3,-1.3 -5,-0.0 -4,-0.4 -146,-0.0 -0.307 73.2 21.1 -81.8 155.3 -52.9 -30.7 1.1 258 292 A D T 3 S- 0 0 156 1,-0.2 -1,-0.2 -2,-0.0 -2,-0.0 0.808 79.9-175.4 60.9 40.9 -53.0 -34.5 1.1 259 293 A V < - 0 0 42 -3,-0.6 2,-0.2 1,-0.1 -1,-0.2 -0.276 24.9-117.2 -65.6 142.8 -49.2 -35.1 1.0 260 294 A L - 0 0 27 -152,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.590 27.9-112.1 -72.2 151.3 -47.9 -38.6 0.7 261 295 A L > - 0 0 114 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.432 34.1-106.5 -75.7 158.6 -45.8 -40.1 3.5 262 296 A P H > S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.900 118.4 50.1 -58.4 -45.2 -42.2 -40.7 2.5 263 297 A Q H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.893 111.3 47.7 -61.8 -42.6 -42.6 -44.5 2.4 264 298 A E H > S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.890 109.4 56.0 -61.6 -37.6 -45.7 -44.4 0.2 265 299 A T H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.6 0.899 109.2 44.9 -61.0 -43.4 -43.8 -41.9 -2.0 266 300 A A H X>S+ 0 0 1 -4,-2.1 4,-1.7 -121,-0.3 5,-1.2 0.937 113.2 51.1 -66.0 -44.9 -41.0 -44.4 -2.5 267 301 A E H <5S+ 0 0 135 -4,-2.7 -2,-0.2 1,-0.2 4,-0.2 0.926 120.3 34.7 -57.9 -42.8 -43.5 -47.3 -3.1 268 302 A I H <5S+ 0 0 98 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.891 135.3 15.0 -79.3 -41.6 -45.4 -45.2 -5.8 269 303 A H H <5S+ 0 0 17 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.616 126.4 40.8-113.5 -20.6 -42.6 -43.2 -7.4 270 304 A L T << 0 0 21 -4,-1.7 -3,-0.2 -5,-0.6 -4,-0.1 0.505 360.0 360.0-116.4 -7.2 -39.1 -44.5 -6.6 271 305 A H < 0 0 208 -5,-1.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.389 360.0 360.0 61.1 360.0 -39.9 -48.3 -6.9