==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-APR-12 4AS0 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BLANCK,Y.GEISSELBRECHT,S.MIDDEL,T.MIETKE,K.HARMS,L.-O.ESSE . 273 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 63.7 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 18.7 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 . 77 28.2 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 0 3 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 0 133 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.8 -6.6 -42.6 13.6 2 34 A L >> + 0 0 36 1,-0.2 4,-0.9 2,-0.1 3,-0.7 -0.648 360.0 34.6 92.5 -94.1 -8.2 -41.5 10.3 3 35 A E T 34 S+ 0 0 77 -2,-1.0 -1,-0.2 1,-0.2 5,-0.2 0.423 114.4 62.1 -81.2 0.3 -7.7 -43.9 7.3 4 36 A S T 34 S+ 0 0 86 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.643 103.3 49.1 -90.8 -22.6 -7.8 -46.8 9.8 5 37 A Q T <4 S+ 0 0 67 -3,-0.7 21,-2.0 1,-0.2 22,-0.4 0.747 117.8 37.4 -82.2 -27.8 -11.4 -45.9 10.7 6 38 A Y E < -A 25 0A 10 -4,-0.9 2,-0.6 19,-0.2 19,-0.2 -0.980 67.6-138.9-132.0 138.7 -12.7 -45.6 7.1 7 39 A Q E -A 24 0A 141 17,-2.6 17,-1.4 -2,-0.4 2,-0.4 -0.872 30.6-143.0 -89.9 118.1 -12.1 -47.4 3.8 8 40 A V E +A 23 0A 79 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.701 23.6 176.1 -90.5 129.6 -11.9 -44.8 1.1 9 41 A G E - 0 0 33 13,-2.8 3,-0.1 -2,-0.4 -1,-0.1 -0.013 40.5 -25.9-108.8-148.7 -13.4 -45.5 -2.3 10 42 A P E - 0 0 92 0, 0.0 12,-2.7 0, 0.0 -1,-0.3 -0.247 66.5 -96.8 -74.1 153.2 -13.9 -43.5 -5.5 11 43 A L E -A 21 0A 97 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.437 29.8-166.6 -60.5 132.1 -14.1 -39.7 -5.8 12 44 A L E - 0 0 103 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.774 58.4 -58.5 -91.6 -35.1 -17.8 -38.7 -6.0 13 45 A G E -A 20 0A 27 7,-1.5 7,-2.6 2,-0.0 -1,-0.4 -0.960 46.5-142.6 171.0 176.6 -17.2 -35.2 -7.2 14 46 A S E +A 19 0A 75 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.980 34.6 104.9-158.7 160.9 -15.5 -31.8 -6.4 15 47 A G E > S-A 18 0A 34 3,-2.1 3,-2.4 -2,-0.3 -2,-0.0 -0.968 83.4 -12.1 166.0-148.2 -16.0 -28.1 -6.7 16 48 A G T 3 S+ 0 0 72 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.661 131.6 57.1 -54.9 -19.6 -16.9 -25.0 -4.6 17 49 A F T 3 S- 0 0 73 1,-0.3 2,-0.3 20,-0.0 -1,-0.3 0.396 114.5-115.1 -93.1 -2.8 -17.8 -27.5 -1.9 18 50 A G E < -A 15 0A 6 -3,-2.4 -3,-2.1 19,-0.1 2,-0.4 -0.782 52.2 -42.7 105.1-148.0 -14.4 -29.3 -1.8 19 51 A S E -AB 14 36A 42 17,-2.2 17,-2.9 -2,-0.3 2,-0.4 -0.991 52.3-161.2-127.4 130.9 -13.8 -32.9 -2.7 20 52 A V E -AB 13 35A 24 -7,-2.6 -8,-3.2 -2,-0.4 -7,-1.5 -0.939 4.8-168.0-118.9 134.9 -16.1 -35.7 -1.7 21 53 A Y E -AB 11 34A 76 13,-2.5 13,-2.7 -2,-0.4 -10,-0.2 -0.898 24.5-119.4-119.2 147.7 -15.3 -39.4 -1.7 22 54 A S E + B 0 33A 19 -12,-2.7 -13,-2.8 -2,-0.3 2,-0.3 -0.582 48.3 162.9 -76.9 146.9 -17.5 -42.5 -1.3 23 55 A G E -AB 8 32A 2 9,-1.9 9,-2.2 -15,-0.2 2,-0.3 -0.930 33.0-133.7-160.4 176.6 -16.5 -44.5 1.8 24 56 A I E -AB 7 31A 46 -17,-1.4 -17,-2.6 -2,-0.3 2,-0.5 -0.994 23.6-123.5-146.4 132.4 -17.3 -47.2 4.3 25 57 A R E >> -AB 6 30A 62 5,-2.6 4,-1.7 -2,-0.3 5,-0.5 -0.714 24.2-144.4 -80.2 122.7 -17.0 -47.2 8.1 26 58 A V T 45S+ 0 0 77 -21,-2.0 -1,-0.2 -2,-0.5 3,-0.1 0.882 89.3 57.5 -61.5 -44.4 -14.8 -50.3 8.8 27 59 A S T 45S+ 0 0 100 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.0 0.949 128.4 6.5 -47.5 -69.6 -16.5 -51.3 12.1 28 60 A D T 45S- 0 0 86 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.224 96.3-115.8-109.0 12.0 -20.2 -51.7 10.9 29 61 A N T <5 + 0 0 117 -4,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.744 52.5 170.1 55.0 28.7 -19.8 -51.3 7.1 30 62 A L E < -B 25 0A 60 -5,-0.5 -5,-2.6 1,-0.1 2,-0.3 -0.499 36.7-120.4 -66.3 128.2 -21.9 -48.1 7.2 31 63 A P E +B 24 0A 31 0, 0.0 59,-1.1 0, 0.0 2,-0.3 -0.600 44.0 172.6 -70.6 135.7 -21.8 -46.3 3.9 32 64 A V E -BC 23 89A 0 -9,-2.2 -9,-1.9 -2,-0.3 2,-0.4 -0.880 32.2-127.1-139.4 166.6 -20.4 -42.8 4.3 33 65 A A E -BC 22 88A 12 55,-2.9 55,-2.7 -2,-0.3 2,-0.5 -0.960 18.4-153.2-117.9 138.7 -19.3 -39.7 2.4 34 66 A I E -BC 21 87A 9 -13,-2.7 -13,-2.5 -2,-0.4 2,-0.5 -0.956 12.1-166.7-120.8 114.0 -15.9 -38.2 3.1 35 67 A K E -BC 20 86A 11 51,-2.9 51,-2.8 -2,-0.5 2,-0.5 -0.889 4.7-161.9-115.6 121.7 -15.7 -34.5 2.4 36 68 A H E -BC 19 85A 44 -17,-2.9 -17,-2.2 -2,-0.5 2,-0.4 -0.900 7.8-176.9-106.9 123.7 -12.4 -32.6 2.3 37 69 A V E - C 0 84A 13 47,-2.3 47,-2.4 -2,-0.5 2,-0.2 -0.989 23.8-130.0-121.1 123.4 -12.4 -28.8 2.6 38 70 A E E >> - C 0 83A 118 -2,-0.4 3,-1.0 45,-0.2 4,-0.6 -0.494 10.6-137.9 -68.7 136.6 -9.1 -26.8 2.2 39 71 A K G >4 S+ 0 0 47 43,-2.9 3,-0.9 1,-0.2 44,-0.1 0.857 102.9 61.2 -61.7 -37.1 -8.5 -24.3 5.1 40 72 A D G 34 S+ 0 0 96 42,-0.5 -1,-0.2 1,-0.2 43,-0.1 0.656 106.3 47.1 -63.7 -18.4 -7.3 -21.7 2.5 41 73 A R G <4 S+ 0 0 123 -3,-1.0 2,-0.5 2,-0.0 -1,-0.2 0.524 81.7 109.8-103.1 -10.2 -10.7 -21.8 0.9 42 74 A I << + 0 0 22 -3,-0.9 3,-0.1 -4,-0.6 -3,-0.0 -0.578 39.3 178.7 -72.1 121.3 -12.9 -21.5 4.0 43 75 A S + 0 0 103 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.832 65.0 47.8 -88.1 -39.6 -14.6 -18.1 4.0 44 76 A D - 0 0 71 112,-0.2 12,-2.8 115,-0.0 13,-0.4 -0.930 65.1-178.4-117.5 121.5 -16.7 -18.4 7.2 45 77 A W E +E 55 0B 69 -2,-0.5 2,-0.2 10,-0.3 8,-0.0 -0.759 5.1 167.8-113.2 157.2 -15.4 -19.7 10.5 46 78 A G E -E 54 0B 16 8,-3.2 8,-1.7 -2,-0.3 2,-0.3 -0.716 26.5-113.8-143.8-163.1 -17.0 -20.2 13.8 47 79 A E E -E 53 0B 132 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.997 14.2-128.3-145.2 142.6 -16.3 -22.0 17.1 48 80 A L > - 0 0 16 4,-2.4 3,-2.9 -2,-0.3 4,-0.1 -0.545 47.2 -93.3 -80.3 156.0 -17.7 -24.9 19.0 49 81 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.840 125.7 57.9 -37.1 -52.8 -18.6 -24.3 22.7 50 82 A N T 3 S- 0 0 127 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.304 122.8-103.4 -67.8 10.0 -15.2 -25.4 24.0 51 83 A G < + 0 0 42 -3,-2.9 2,-0.2 1,-0.3 -1,-0.1 0.359 69.7 149.9 87.0 -6.2 -13.5 -22.7 21.8 52 84 A T - 0 0 57 -4,-0.1 -4,-2.4 1,-0.1 2,-0.5 -0.459 46.4-130.4 -60.5 122.9 -12.3 -25.1 19.0 53 85 A R E +E 47 0B 162 -2,-0.2 -6,-0.2 -6,-0.2 -1,-0.1 -0.688 40.7 159.3 -83.4 123.6 -12.2 -23.0 15.8 54 86 A V E -E 46 0B 2 -8,-1.7 -8,-3.2 -2,-0.5 2,-0.1 -0.873 46.4 -81.2-136.3 164.0 -14.0 -24.7 12.9 55 87 A P E >> -E 45 0B 7 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.436 43.8-115.7 -65.0 149.8 -15.6 -23.9 9.6 56 88 A M H 3> S+ 0 0 35 -12,-2.8 4,-3.0 1,-0.3 3,-0.3 0.894 113.3 67.3 -55.9 -38.8 -19.2 -22.5 9.9 57 89 A E H 3> S+ 0 0 21 -13,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.849 99.8 50.0 -48.8 -39.6 -20.4 -25.6 8.0 58 90 A V H <> S+ 0 0 0 -3,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.888 110.5 49.1 -71.8 -38.7 -19.4 -27.8 10.9 59 91 A V H X S+ 0 0 24 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.965 113.8 46.1 -57.8 -53.3 -21.2 -25.6 13.4 60 92 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.929 111.7 52.0 -58.5 -46.0 -24.3 -25.6 11.3 61 93 A L H X S+ 0 0 2 -4,-2.7 4,-1.3 -5,-0.3 13,-0.3 0.870 108.2 50.6 -61.1 -38.7 -24.1 -29.3 10.8 62 94 A K H < S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.884 107.7 54.3 -68.9 -35.8 -23.8 -30.0 14.6 63 95 A K H < S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 119.2 32.5 -64.5 -34.7 -26.9 -27.8 15.3 64 96 A V H < S+ 0 0 2 -4,-1.8 2,-2.0 -5,-0.2 -1,-0.2 0.580 91.2 100.4 -96.4 -8.4 -29.1 -29.8 12.8 65 97 A S < + 0 0 22 -4,-1.3 2,-0.3 -5,-0.2 -1,-0.1 -0.377 45.8 118.3 -89.3 64.9 -27.6 -33.2 13.2 66 98 A S S S- 0 0 90 -2,-2.0 2,-2.5 2,-0.1 -1,-0.1 -0.754 86.4 -76.7-136.0 82.8 -30.1 -34.9 15.5 67 99 A G S S+ 0 0 53 -2,-0.3 2,-0.1 2,-0.1 -2,-0.1 -0.168 86.8 121.1 76.7 -47.8 -32.0 -37.9 14.2 68 100 A F > - 0 0 76 -2,-2.5 3,-0.9 1,-0.1 -2,-0.1 -0.364 57.2-146.0 -50.1 123.6 -34.5 -36.4 11.9 69 101 A S T 3 S+ 0 0 47 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.346 81.0 85.2 -87.1 6.9 -33.8 -37.9 8.6 70 102 A G T 3 S+ 0 0 7 81,-0.1 82,-2.1 51,-0.1 2,-0.4 0.561 90.5 53.5 -81.5 -10.3 -34.7 -34.9 6.4 71 103 A V B < S-f 152 0C 2 -3,-0.9 82,-0.1 80,-0.3 2,-0.1 -0.978 95.9-104.4-126.2 139.1 -31.2 -33.5 6.9 72 104 A I - 0 0 5 80,-2.3 2,-0.5 -2,-0.4 -8,-0.1 -0.365 38.7-130.9 -55.5 132.9 -27.8 -35.2 6.3 73 105 A R - 0 0 96 -4,-0.1 16,-1.7 -8,-0.1 2,-0.7 -0.809 3.0-137.9 -95.1 128.4 -26.1 -36.2 9.5 74 106 A L E -D 88 0A 20 -2,-0.5 14,-0.2 -13,-0.3 3,-0.1 -0.755 21.4-178.4 -75.8 114.2 -22.5 -35.4 10.3 75 107 A L E - 0 0 43 12,-2.3 2,-0.3 -2,-0.7 13,-0.2 0.852 61.5 -23.5 -84.3 -37.5 -21.1 -38.6 11.9 76 108 A D E -D 87 0A 57 11,-1.4 11,-3.1 2,-0.0 -1,-0.3 -0.968 54.9-154.0-164.0 164.8 -17.6 -37.3 12.6 77 109 A W E -D 86 0A 56 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.981 4.9-160.3-148.2 161.4 -15.0 -34.7 11.6 78 110 A F E -D 85 0A 42 7,-2.5 7,-2.8 -2,-0.3 2,-0.4 -0.981 12.1-138.3-139.6 145.6 -11.2 -34.4 11.7 79 111 A E E -D 84 0A 103 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.924 21.4-179.6-105.7 137.0 -8.8 -31.5 11.5 80 112 A R - 0 0 110 3,-3.1 3,-0.2 -2,-0.4 -2,-0.0 -0.744 45.3 -94.0-118.9 170.8 -5.6 -31.7 9.4 81 113 A P S S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.855 121.5 15.1 -54.4 -41.1 -2.8 -29.2 8.9 82 114 A D S S+ 0 0 128 1,-0.1 -43,-2.9 -43,-0.1 -42,-0.5 0.358 129.2 25.0-117.7 5.0 -4.3 -27.7 5.7 83 115 A S E -C 38 0A 19 -45,-0.3 -3,-3.1 -3,-0.2 2,-0.3 -0.976 61.6-123.1-157.5 165.6 -7.8 -29.1 5.7 84 116 A F E -CD 37 79A 1 -47,-2.4 -47,-2.3 -2,-0.3 2,-0.4 -0.905 21.8-150.4-111.7 151.5 -10.8 -30.4 7.5 85 117 A V E -CD 36 78A 7 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.4 -0.988 9.5-164.1-125.0 125.4 -12.4 -33.7 6.8 86 118 A L E -CD 35 77A 1 -51,-2.8 -51,-2.9 -2,-0.4 2,-0.5 -0.875 7.4-153.1-111.6 138.9 -16.1 -34.3 7.4 87 119 A I E +CD 34 76A 3 -11,-3.1 -12,-2.3 -2,-0.4 -11,-1.4 -0.953 25.1 173.1-115.0 123.4 -17.8 -37.7 7.6 88 120 A L E -CD 33 74A 15 -55,-2.7 -55,-2.9 -2,-0.5 -14,-0.2 -0.845 36.0 -86.9-130.5 157.0 -21.4 -37.7 6.6 89 121 A E E -C 32 0A 54 -16,-1.7 -57,-0.2 -2,-0.3 -1,-0.1 -0.243 34.4-162.8 -52.0 149.5 -24.2 -40.2 5.9 90 122 A R - 0 0 37 -59,-1.1 2,-0.0 -58,-0.1 -1,-0.0 -0.878 8.6-147.5-140.3 106.7 -24.5 -41.7 2.5 91 123 A P - 0 0 16 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.374 21.7-125.7 -66.8 154.8 -27.8 -43.4 1.5 92 124 A E S S+ 0 0 127 1,-0.4 2,-0.1 -61,-0.0 52,-0.1 -0.928 93.9 27.9-154.0 118.1 -27.5 -46.3 -0.9 93 125 A P S S+ 0 0 57 0, 0.0 52,-1.4 0, 0.0 53,-0.5 0.539 93.5 163.9 -76.0 149.0 -29.0 -46.4 -3.4 94 126 A V E -G 144 0C 61 -3,-0.2 2,-0.3 50,-0.2 50,-0.2 -0.922 20.8-179.7-133.4 151.5 -29.2 -42.6 -3.8 95 127 A Q E -G 143 0C 26 48,-1.4 48,-2.4 -2,-0.3 2,-0.1 -0.933 27.1-124.7-149.6 133.0 -29.9 -40.0 -6.6 96 128 A D E > -G 142 0C 48 -2,-0.3 4,-2.2 46,-0.2 46,-0.2 -0.394 25.5-118.0 -75.5 155.5 -29.9 -36.2 -6.4 97 129 A L H > S+ 0 0 0 44,-2.4 4,-2.7 41,-0.9 5,-0.2 0.837 112.7 56.7 -67.1 -34.9 -33.0 -34.4 -7.4 98 130 A F H > S+ 0 0 93 40,-0.8 4,-2.7 43,-0.3 -1,-0.2 0.970 111.5 43.4 -57.5 -53.7 -31.3 -32.6 -10.3 99 131 A D H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.870 113.6 53.0 -55.3 -41.8 -30.2 -35.9 -11.8 100 132 A F H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.905 111.6 43.4 -67.2 -41.5 -33.7 -37.3 -11.1 101 133 A I H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.882 112.0 53.8 -72.2 -39.1 -35.5 -34.4 -12.9 102 134 A T H < S+ 0 0 96 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.907 113.8 44.5 -58.4 -40.5 -33.0 -34.5 -15.8 103 135 A E H < S+ 0 0 138 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.911 126.6 26.4 -70.0 -44.3 -33.8 -38.2 -16.1 104 136 A R H < S- 0 0 122 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.574 92.2-142.2-101.8 -12.8 -37.6 -38.0 -15.8 105 137 A G < + 0 0 32 -4,-2.6 -1,-0.3 -5,-0.2 101,-0.2 -0.348 65.9 3.8 74.4-164.4 -38.6 -34.6 -17.0 106 138 A A S S- 0 0 34 99,-0.4 2,-0.2 1,-0.1 98,-0.2 -0.217 84.0-123.4 -51.4 133.9 -41.4 -32.6 -15.3 107 139 A L - 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0 0 33 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.402 30.7-131.3 -79.5 153.6 -36.0 -23.4 -13.5 209 241 A P S S+ 0 0 20 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.791 84.1 42.0 -77.8 -31.7 -38.1 -20.3 -14.5 210 242 A F + 0 0 6 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.958 43.7 166.6-125.3 138.1 -35.4 -17.6 -14.6 211 243 A E + 0 0 62 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.698 68.4 50.6-112.2 -38.8 -31.9 -17.6 -16.1 212 244 A H S >> S- 0 0 119 1,-0.1 4,-2.0 -38,-0.0 3,-1.0 -0.726 82.8-116.2-107.6 152.8 -31.0 -13.9 -16.2 213 245 A D H 3> S+ 0 0 54 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.843 115.2 58.8 -47.6 -41.3 -31.1 -11.1 -13.5 214 246 A E H 3> S+ 0 0 143 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.849 106.4 47.2 -62.6 -36.6 -33.7 -9.2 -15.6 215 247 A E H <> S+ 0 0 80 -3,-1.0 4,-1.4 2,-0.2 5,-0.5 0.917 109.8 53.6 -69.8 -41.7 -36.0 -12.2 -15.4 216 248 A I H < S+ 0 0 2 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.934 115.1 38.8 -60.1 -46.6 -35.5 -12.6 -11.7 217 249 A I H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.628 109.0 62.2 -83.2 -12.0 -36.5 -9.0 -10.9 218 250 A G H < S- 0 0 45 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.738 85.4-157.4 -83.0 -27.4 -39.3 -8.9 -13.5 219 251 A G < + 0 0 23 -4,-1.4 2,-0.6 -3,-0.4 22,-0.1 0.870 35.5 146.8 50.9 47.1 -41.2 -11.6 -11.8 220 252 A Q - 0 0 166 -5,-0.5 2,-0.7 2,-0.0 -1,-0.2 -0.977 34.0-156.9-106.8 117.8 -43.3 -12.8 -14.7 221 253 A V - 0 0 12 -2,-0.6 2,-0.5 -3,-0.1 15,-0.0 -0.867 10.9-174.9 -99.2 116.5 -43.8 -16.5 -14.3 222 254 A F - 0 0 161 -2,-0.7 2,-0.5 -13,-0.2 -2,-0.0 -0.957 17.9-139.6-110.4 126.9 -44.5 -18.4 -17.5 223 255 A F - 0 0 22 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.766 15.5-173.1 -88.2 127.8 -45.4 -22.0 -17.3 224 256 A R S S+ 0 0 113 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.462 71.0 44.8 -98.0 -6.5 -43.9 -24.2 -20.0 225 257 A Q S S- 0 0 104 2,-0.0 2,-0.4 0, 0.0 -20,-0.1 -0.888 100.4 -84.1-127.6 165.6 -45.8 -27.4 -18.9 226 258 A R + 0 0 211 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.576 55.4 170.9 -67.4 123.2 -49.4 -28.2 -17.9 227 259 A V - 0 0 2 -2,-0.4 -4,-0.1 -4,-0.1 5,-0.0 -0.994 36.7-104.9-139.7 132.4 -49.6 -27.4 -14.1 228 260 A S > - 0 0 28 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.134 29.1-115.4 -56.5 153.8 -52.8 -27.3 -12.1 229 261 A S H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.842 115.9 53.5 -61.6 -35.3 -54.3 -23.9 -11.2 230 262 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 27,-0.2 0.929 109.9 46.3 -67.2 -44.5 -53.7 -24.6 -7.5 231 263 A C H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.897 111.0 52.3 -63.7 -42.6 -50.0 -25.4 -8.0 232 264 A Q H X S+ 0 0 49 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.903 108.2 53.0 -59.5 -39.6 -49.5 -22.3 -10.2 233 265 A H H X S+ 0 0 108 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.940 109.1 47.3 -64.4 -45.8 -51.1 -20.2 -7.5 234 266 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.938 113.7 48.9 -60.8 -42.3 -48.7 -21.5 -4.8 235 267 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.940 110.9 48.7 -63.4 -47.9 -45.7 -21.0 -7.0 236 268 A R H < S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 110.6 52.2 -61.3 -35.1 -46.7 -17.5 -7.9 237 269 A W H >< S+ 0 0 74 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.940 109.4 47.7 -66.5 -49.3 -47.2 -16.6 -4.3 238 270 A C H 3< S+ 0 0 0 -4,-2.4 -41,-0.2 1,-0.3 -1,-0.2 0.775 111.7 53.7 -59.2 -26.8 -43.7 -17.9 -3.3 239 271 A L T 3< S+ 0 0 7 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.085 75.6 142.8-101.0 22.7 -42.4 -15.9 -6.1 240 272 A A < - 0 0 20 -3,-1.8 6,-0.1 1,-0.1 -3,-0.1 -0.435 52.5-136.4 -60.1 130.4 -43.9 -12.6 -5.1 241 273 A L S S+ 0 0 77 -22,-0.1 -62,-0.2 -2,-0.1 -1,-0.1 0.850 90.6 67.7 -58.1 -41.1 -41.5 -9.8 -5.8 242 274 A R S > S- 0 0 153 1,-0.1 3,-1.7 -64,-0.1 4,-0.4 -0.777 81.1-143.1 -84.7 121.3 -42.1 -8.1 -2.5 243 275 A P G > S+ 0 0 48 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.857 98.0 56.4 -49.6 -43.8 -40.8 -10.3 0.4 244 276 A S G 3 S+ 0 0 86 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.669 99.7 60.9 -68.7 -18.5 -43.6 -9.5 2.8 245 277 A D G < S+ 0 0 77 -3,-1.7 -1,-0.3 -5,-0.1 -4,-0.1 0.507 85.6 99.0 -81.1 -7.4 -46.2 -10.7 0.2 246 278 A R S < S- 0 0 15 -3,-1.8 -8,-0.2 -4,-0.4 -9,-0.1 -0.446 81.0-102.6 -79.5 154.1 -44.7 -14.2 0.2 247 279 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.325 25.5-121.3 -72.2 158.0 -46.3 -17.0 2.3 248 280 A T > - 0 0 73 1,-0.1 4,-2.5 -55,-0.0 5,-0.1 -0.496 36.1-102.7 -79.8 165.9 -45.0 -18.3 5.6 249 281 A F H > S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.863 125.8 54.8 -59.9 -37.5 -44.2 -22.0 5.9 250 282 A E H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 108.3 47.3 -57.3 -48.5 -47.5 -22.5 7.7 251 283 A E H > S+ 0 0 84 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.902 112.0 51.0 -64.0 -39.2 -49.3 -20.8 4.8 252 284 A I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 6,-0.3 0.971 112.6 44.9 -59.8 -52.7 -47.5 -22.9 2.3 253 285 A Q H 3< S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.700 113.0 51.0 -71.4 -18.3 -48.3 -26.2 4.1 254 286 A N H 3< S+ 0 0 106 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.443 84.3 119.5 -89.5 -3.3 -52.0 -25.1 4.6 255 287 A H S X< S- 0 0 10 -3,-1.5 3,-1.4 -4,-0.5 4,-0.3 -0.294 74.9-122.1 -62.4 145.6 -52.3 -24.4 0.9 256 288 A P G > S+ 0 0 72 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.857 111.5 61.0 -59.2 -34.6 -54.9 -26.4 -0.9 257 289 A W G 3 S+ 0 0 5 -27,-0.2 -26,-0.1 1,-0.2 -4,-0.1 0.789 101.3 56.6 -61.5 -22.4 -52.3 -27.8 -3.4 258 290 A M G < S+ 0 0 2 -3,-1.4 3,-0.4 -6,-0.3 -1,-0.2 0.436 81.1 112.0 -93.2 2.5 -50.5 -29.3 -0.4 259 291 A Q S < S+ 0 0 85 -3,-1.3 -5,-0.0 -4,-0.3 -146,-0.0 -0.333 71.1 22.5 -78.0 155.7 -53.2 -31.5 1.1 260 292 A D S S- 0 0 155 1,-0.2 -1,-0.2 -2,-0.0 2,-0.1 0.874 78.5-172.8 61.4 43.1 -53.3 -35.3 1.2 261 293 A V - 0 0 40 -3,-0.4 -1,-0.2 -148,-0.1 2,-0.1 -0.417 23.0-117.7 -65.1 139.7 -49.5 -35.7 0.8 262 294 A L - 0 0 25 -152,-0.4 -1,-0.1 -2,-0.1 3,-0.0 -0.432 29.0-110.7 -66.3 154.5 -48.3 -39.3 0.3 263 295 A L > - 0 0 112 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.502 31.1-107.3 -80.0 155.2 -46.0 -40.9 2.9 264 296 A P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.914 119.2 49.3 -52.6 -47.1 -42.3 -41.5 1.9 265 297 A Q H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.913 111.9 48.2 -62.1 -42.9 -42.7 -45.3 1.7 266 298 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.878 110.3 53.8 -58.9 -39.8 -45.9 -44.9 -0.5 267 299 A T H X>S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.6 0.919 109.5 47.5 -61.5 -42.1 -43.9 -42.5 -2.6 268 300 A A H X>S+ 0 0 0 -4,-2.4 5,-3.1 -121,-0.3 4,-1.2 0.898 114.0 47.2 -65.8 -40.6 -41.2 -45.1 -3.0 269 301 A E H <5S+ 0 0 127 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.947 121.1 33.7 -68.9 -47.5 -43.6 -47.8 -3.9 270 302 A I H <5S+ 0 0 102 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.882 135.3 18.0 -75.8 -41.8 -45.7 -45.9 -6.4 271 303 A H H <5S+ 0 0 18 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.615 129.4 32.3-112.7 -18.4 -43.1 -43.7 -8.0 272 304 A L T << 0 0 25 -4,-1.2 -3,-0.2 -5,-0.6 -4,-0.2 0.775 360.0 360.0-115.4 -37.2 -39.6 -45.0 -7.3 273 305 A H < 0 0 130 -5,-3.1 -4,-0.1 -6,-0.2 -3,-0.1 0.989 360.0 360.0 -78.6 360.0 -39.6 -48.8 -7.1