==== 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/INHIBITOR 13-APR-12 4ENY . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.J.PARKER,N.HANDA,S.YOKOYAMA . 261 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 3 0 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 . 2 1 1 1 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 . 1 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 37 A Q 0 0 136 0, 0.0 21,-2.0 0, 0.0 22,-0.6 0.000 360.0 360.0 360.0 -69.4 -82.1 115.6 12.3 2 38 A Y E -A 21 0A 42 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.897 360.0-140.8-121.5 150.8 -80.9 116.6 8.8 3 39 A Q E -A 20 0A 128 17,-3.2 17,-1.6 -2,-0.3 2,-0.1 -0.927 26.9-135.9-112.6 110.3 -82.7 116.9 5.4 4 40 A V E +A 19 0A 89 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.358 26.0 177.6 -72.5 137.8 -80.5 115.7 2.6 5 41 A G E - 0 0 33 13,-3.6 -1,-0.1 1,-0.3 14,-0.1 -0.124 40.8 -33.5-113.8-148.4 -80.2 117.6 -0.7 6 42 A P E - 0 0 92 0, 0.0 12,-3.2 0, 0.0 2,-0.4 -0.338 68.8 -92.3 -75.9 157.1 -78.2 117.3 -4.0 7 43 A L E -A 17 0A 91 10,-0.3 10,-0.3 1,-0.2 3,-0.1 -0.542 34.9-172.4 -69.7 123.3 -74.7 115.8 -4.2 8 44 A L E - 0 0 97 8,-3.3 2,-0.3 -2,-0.4 9,-0.2 0.752 63.7 -18.6 -88.5 -28.2 -72.1 118.5 -4.0 9 45 A G E -A 16 0A 27 7,-1.6 7,-3.2 2,-0.0 2,-0.3 -0.955 53.0-149.9-175.6 157.1 -69.1 116.4 -4.8 10 46 A S E A 15 0A 93 -2,-0.3 5,-0.3 5,-0.2 -3,-0.0 -0.997 360.0 360.0-141.6 141.8 -67.6 112.9 -5.1 11 47 A G 0 0 71 3,-3.2 -2,-0.0 -2,-0.3 0, 0.0 -0.550 360.0 360.0-149.8 360.0 -64.2 111.3 -4.7 12 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 49 A F 0 0 79 0, 0.0 2,-0.2 0, 0.0 134,-0.0 0.000 360.0 360.0 360.0 18.8 -62.2 111.3 -0.5 14 50 A G - 0 0 19 19,-0.1 -3,-3.2 17,-0.1 2,-0.4 -0.727 360.0 -60.6 113.1-163.4 -65.9 110.2 -0.3 15 51 A S E -AB 10 32A 37 17,-1.9 17,-3.2 -5,-0.3 2,-0.4 -0.979 39.3-160.7-128.1 139.9 -69.2 111.9 -1.2 16 52 A V E -AB 9 31A 39 -7,-3.2 -8,-3.3 -2,-0.4 -7,-1.6 -0.975 6.4-168.8-128.3 129.0 -70.6 115.2 0.0 17 53 A Y E -AB 7 30A 76 13,-2.8 13,-3.0 -2,-0.4 -10,-0.3 -0.790 26.4-111.8-112.9 153.4 -74.3 116.3 -0.1 18 54 A S E + B 0 29A 17 -12,-3.2 -13,-3.6 -2,-0.3 2,-0.3 -0.509 47.2 176.1 -74.7 151.9 -76.0 119.6 0.5 19 55 A G E -AB 4 28A 1 9,-1.7 9,-3.0 -15,-0.2 2,-0.4 -0.996 30.8-140.8-161.1 160.4 -78.2 119.6 3.5 20 56 A I E -AB 3 27A 42 -17,-1.6 -17,-3.2 -2,-0.3 2,-0.7 -0.986 23.9-129.6-127.1 132.9 -80.5 121.5 5.9 21 57 A R E >>> -AB 2 26A 58 5,-2.6 4,-2.5 -2,-0.4 3,-1.0 -0.775 13.4-149.5 -84.7 116.5 -80.6 121.1 9.7 22 58 A V T 345S+ 0 0 84 -21,-2.0 -1,-0.2 -2,-0.7 -20,-0.1 0.837 89.9 69.2 -53.2 -38.7 -84.2 120.5 10.7 23 59 A S T 345S- 0 0 95 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.873 130.0 -9.0 -45.5 -50.5 -83.6 122.2 14.1 24 60 A D T <45S- 0 0 87 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.208 92.8-106.2-140.6 14.3 -83.1 125.7 12.6 25 61 A N T <5 + 0 0 118 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.0 0.766 61.0 168.0 55.9 29.0 -83.0 125.3 8.8 26 62 A L E < -B 21 0A 58 -5,-0.7 -5,-2.6 1,-0.1 2,-0.4 -0.513 40.4-113.3 -71.3 135.5 -79.2 125.9 9.0 27 63 A P E +B 20 0A 38 0, 0.0 54,-1.4 0, 0.0 2,-0.3 -0.586 48.4 166.6 -70.8 126.0 -77.3 125.1 5.8 28 64 A V E -BC 19 80A 0 -9,-3.0 -9,-1.7 -2,-0.4 2,-0.4 -0.820 32.8-127.7-131.5 171.6 -75.0 122.2 6.3 29 65 A A E -BC 18 79A 10 50,-3.1 50,-2.9 -2,-0.3 2,-0.7 -0.992 15.9-149.5-122.7 135.1 -72.9 119.8 4.3 30 66 A I E -BC 17 78A 8 -13,-3.0 -13,-2.8 -2,-0.4 2,-0.4 -0.890 14.5-168.0-110.6 107.6 -73.2 116.0 4.7 31 67 A K E -BC 16 77A 18 46,-2.9 46,-2.8 -2,-0.7 2,-0.5 -0.786 3.8-159.7 -98.7 132.5 -69.9 114.1 4.1 32 68 A H E -BC 15 76A 41 -17,-3.2 -17,-1.9 -2,-0.4 2,-0.4 -0.955 9.5-178.9-115.8 124.9 -69.8 110.3 3.7 33 69 A V E - C 0 75A 15 42,-2.6 42,-2.8 -2,-0.5 2,-0.3 -0.984 24.0-131.1-125.4 124.4 -66.6 108.4 4.2 34 70 A E E > - C 0 74A 124 -2,-0.4 3,-1.6 40,-0.2 4,-0.3 -0.541 12.9-136.9 -73.8 134.4 -66.4 104.6 3.8 35 71 A K G > S+ 0 0 50 38,-3.5 3,-1.3 1,-0.3 -1,-0.1 0.824 101.0 63.1 -59.2 -35.8 -64.6 102.8 6.7 36 72 A D G 3 S+ 0 0 103 37,-0.4 -1,-0.3 1,-0.3 38,-0.1 0.621 103.1 50.9 -68.0 -11.4 -62.7 100.5 4.4 37 73 A R G < S+ 0 0 170 -3,-1.6 2,-0.7 -24,-0.0 -1,-0.3 0.464 86.1 97.6-103.9 -4.3 -60.9 103.6 2.8 38 74 A I < + 0 0 26 -3,-1.3 3,-0.1 -4,-0.3 109,-0.0 -0.780 38.3 168.2 -90.8 114.4 -59.8 105.2 6.1 39 75 A S + 0 0 95 -2,-0.7 2,-0.5 1,-0.1 -1,-0.2 0.567 61.7 64.8-100.1 -12.1 -56.2 104.3 6.9 40 76 A D + 0 0 74 2,-0.0 7,-2.6 110,-0.0 8,-0.4 -0.955 61.9 171.8-121.4 121.9 -55.7 106.8 9.7 41 77 A W B E 46 0B 59 -2,-0.5 -2,-0.0 5,-0.3 6,-0.0 -0.819 360.0 360.0-126.1 163.1 -57.6 106.6 13.0 42 78 A G 0 0 61 3,-3.3 -1,-0.1 -2,-0.3 5,-0.0 0.226 360.0 360.0-158.0 360.0 -57.5 108.3 16.5 43 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 44 85 A R 0 0 211 0, 0.0 3,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 108.0 -61.6 105.4 17.9 45 86 A V - 0 0 24 1,-0.1 -3,-3.3 25,-0.0 2,-0.0 -0.806 360.0 -80.3-125.7 166.9 -62.6 107.8 15.1 46 87 A P B >> -E 41 0B 7 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.394 41.5-117.6 -63.0 152.3 -61.0 108.7 11.7 47 88 A M H 3> S+ 0 0 25 -7,-2.6 4,-3.1 1,-0.2 5,-0.3 0.840 112.8 68.5 -59.6 -32.8 -58.1 111.2 12.0 48 89 A E H 3> S+ 0 0 20 -8,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.873 100.2 48.1 -54.7 -40.1 -60.2 113.6 9.9 49 90 A V H <> S+ 0 0 3 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.922 111.8 49.4 -65.2 -46.0 -62.6 113.9 12.8 50 91 A V H X S+ 0 0 37 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.957 112.7 46.7 -57.2 -53.7 -59.7 114.5 15.3 51 92 A L H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.891 111.0 52.2 -56.4 -44.7 -58.1 117.1 13.1 52 93 A L H < S+ 0 0 2 -4,-2.1 4,-0.4 -5,-0.3 13,-0.4 0.862 109.3 49.9 -62.9 -36.9 -61.4 118.9 12.6 53 94 A K H >< S+ 0 0 124 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.857 106.8 55.1 -70.4 -34.9 -62.1 119.1 16.3 54 95 A K H 3< S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 110.6 46.2 -67.9 -25.9 -58.7 120.5 17.0 55 96 A V T 3< S+ 0 0 2 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.2 0.404 82.7 119.5-101.5 3.2 -59.3 123.4 14.6 56 97 A S < 0 0 46 -3,-0.7 8,-0.1 -4,-0.4 7,-0.1 -0.510 360.0 360.0 -71.5 131.0 -62.8 124.4 15.7 57 98 A S 0 0 65 2,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.960 360.0 360.0-165.4 360.0 -63.2 127.9 17.0 58 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 100 A F > 0 0 99 0, 0.0 3,-0.6 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 124.5 -62.5 131.6 13.3 60 101 A S T 3 + 0 0 47 1,-0.2 4,-0.1 82,-0.0 53,-0.1 0.260 360.0 86.4 -97.5 10.6 -64.1 131.3 9.9 61 102 A G T 3 S+ 0 0 7 81,-0.1 82,-2.5 51,-0.1 2,-0.4 0.705 88.4 54.6 -81.6 -20.5 -61.0 130.5 7.8 62 103 A V B < S-f 143 0C 3 -3,-0.6 -5,-0.2 80,-0.3 82,-0.1 -0.913 96.9-102.3-115.7 141.8 -61.4 126.7 8.6 63 104 A I - 0 0 7 80,-2.3 2,-0.4 -2,-0.4 -8,-0.1 -0.315 39.0-126.2 -60.7 139.9 -64.5 124.6 7.9 64 105 A R - 0 0 100 -4,-0.1 16,-1.9 -8,-0.1 2,-0.8 -0.773 6.7-141.8 -96.1 129.9 -66.5 123.9 11.1 65 106 A L E +D 79 0A 18 -2,-0.4 14,-0.2 -13,-0.4 3,-0.1 -0.813 21.5 177.2 -88.7 113.2 -67.4 120.3 12.1 66 107 A L E - 0 0 56 12,-2.7 2,-0.3 -2,-0.8 13,-0.2 0.828 61.0 -30.5 -86.5 -36.5 -70.9 120.6 13.6 67 108 A D E -D 78 0A 56 11,-1.4 11,-3.0 2,-0.0 -1,-0.3 -0.964 53.3-151.2-168.5 171.4 -71.5 116.9 14.3 68 109 A W E -D 77 0A 65 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 5.5-157.8-155.5 154.0 -70.6 113.4 13.2 69 110 A F E -D 76 0A 71 7,-2.2 7,-2.4 -2,-0.3 2,-0.5 -0.951 13.5-134.6-133.1 150.7 -72.2 109.9 13.2 70 111 A E E -D 75 0A 118 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.937 24.6-178.2-109.0 127.0 -70.9 106.4 13.0 71 112 A R - 0 0 127 3,-2.7 -2,-0.0 -2,-0.5 5,-0.0 -0.744 45.1 -91.8-113.2 162.8 -72.6 103.9 10.8 72 113 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.873 119.7 2.5 -34.3 -58.6 -71.9 100.2 10.2 73 114 A D S S+ 0 0 127 -38,-0.0 -38,-3.5 -39,-0.0 -37,-0.4 0.424 128.0 48.8-119.4 -3.0 -69.6 100.8 7.2 74 115 A S E -C 34 0A 23 -40,-0.3 -3,-2.7 -39,-0.1 2,-0.4 -0.925 62.3-135.5-136.5 160.3 -69.3 104.6 6.9 75 116 A F E -CD 33 70A 1 -42,-2.8 -42,-2.6 -2,-0.3 2,-0.5 -0.932 19.9-150.2-109.7 142.4 -68.8 107.8 8.9 76 117 A V E -CD 32 69A 9 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.5 -0.956 8.0-161.2-118.4 119.6 -71.0 110.8 8.3 77 118 A L E -CD 31 68A 3 -46,-2.8 -46,-2.9 -2,-0.5 2,-0.7 -0.852 6.6-153.9-102.5 127.2 -69.6 114.3 8.9 78 119 A I E +CD 30 67A 2 -11,-3.0 -12,-2.7 -2,-0.5 -11,-1.4 -0.892 25.1 175.7 -98.5 115.9 -71.9 117.3 9.4 79 120 A L E -CD 29 65A 18 -50,-2.9 -50,-3.1 -2,-0.7 -14,-0.2 -0.825 34.9 -96.1-119.3 154.8 -70.0 120.5 8.2 80 121 A E E -C 28 0A 48 -16,-1.9 -52,-0.2 -2,-0.3 -1,-0.1 -0.315 34.5-154.9 -63.4 151.8 -71.0 124.1 7.9 81 122 A R - 0 0 35 -54,-1.4 2,-0.1 -62,-0.1 -1,-0.0 -0.940 4.7-145.2-134.9 112.9 -72.2 125.3 4.5 82 123 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 52,-0.1 -0.457 23.5-120.3 -70.7 148.0 -72.0 128.9 3.4 83 124 A E S S+ 0 0 125 1,-0.3 2,-0.1 -2,-0.1 52,-0.1 -0.953 96.0 21.9-141.2 118.3 -74.7 130.3 1.1 84 125 A P S S+ 0 0 40 0, 0.0 52,-1.2 0, 0.0 53,-0.5 0.596 92.8 159.7 -82.2 161.3 -74.0 131.3 -1.5 85 126 A V E +G 135 0C 48 50,-0.2 2,-0.3 -3,-0.1 50,-0.2 -0.974 20.1 179.6-143.3 152.1 -70.6 129.6 -2.0 86 127 A Q E -G 134 0C 43 48,-1.0 48,-2.0 -2,-0.3 2,-0.2 -0.962 29.9-119.3-148.8 140.4 -68.3 128.6 -4.8 87 128 A D E > -G 133 0C 39 -2,-0.3 4,-2.6 46,-0.2 46,-0.2 -0.515 26.4-115.1 -82.4 154.0 -64.9 126.7 -4.5 88 129 A L H > S+ 0 0 0 44,-2.8 4,-2.8 41,-0.7 5,-0.3 0.821 113.4 57.7 -57.1 -35.9 -61.7 128.4 -5.7 89 130 A F H > S+ 0 0 77 40,-1.1 4,-2.6 43,-0.3 -1,-0.2 0.956 111.9 39.9 -59.6 -53.3 -61.2 125.9 -8.5 90 131 A D H > S+ 0 0 69 2,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.874 114.0 56.2 -62.0 -38.8 -64.6 126.6 -10.1 91 132 A F H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.936 114.2 37.4 -59.6 -50.6 -64.1 130.4 -9.4 92 133 A I H X S+ 0 0 5 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.885 112.4 59.8 -68.5 -39.2 -60.9 130.5 -11.3 93 134 A T H < S+ 0 0 95 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.849 115.6 33.7 -59.1 -34.2 -62.2 128.0 -14.0 94 135 A E H < S+ 0 0 132 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.772 129.1 34.7 -92.9 -26.9 -65.0 130.4 -14.9 95 136 A R H < S- 0 0 119 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.588 95.8-146.7-106.1 -12.3 -63.2 133.8 -14.3 96 137 A G < + 0 0 31 -4,-3.1 -1,-0.3 -5,-0.2 101,-0.2 -0.440 58.6 6.1 82.7-157.0 -59.7 132.9 -15.4 97 138 A A S S- 0 0 37 99,-0.3 98,-0.2 -2,-0.1 2,-0.2 -0.376 81.3-124.6 -62.6 137.0 -56.5 134.3 -13.9 98 139 A L - 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0 0 86 -2,-0.3 4,-2.1 -22,-0.2 5,-0.3 -0.933 32.8-117.9-112.0 143.0 -41.4 118.1 6.5 179 220 A G H > S+ 0 0 1 -24,-0.5 4,-1.6 -26,-0.4 -54,-0.1 0.800 102.4 39.1 -49.0 -50.5 -44.8 119.6 7.1 180 221 A R H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.938 116.1 46.6 -74.7 -49.9 -44.2 123.3 6.9 181 222 A S H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 114.5 50.6 -59.1 -37.6 -41.8 123.5 4.0 182 223 A A H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.859 109.8 50.3 -67.5 -36.8 -44.0 121.1 2.1 183 224 A A H X S+ 0 0 8 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.901 107.7 52.9 -65.4 -43.4 -47.0 123.3 2.9 184 225 A V H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.893 106.9 53.9 -59.7 -39.9 -45.2 126.4 1.7 185 226 A W H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.925 108.7 46.9 -60.7 -47.7 -44.5 124.6 -1.6 186 227 A S H X S+ 0 0 11 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.854 109.6 54.9 -64.5 -33.3 -48.2 123.8 -2.1 187 228 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.882 105.2 54.1 -66.3 -36.5 -48.9 127.5 -1.3 188 229 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 41,-0.2 -2,-0.2 0.930 109.3 46.7 -57.4 -49.0 -46.5 128.4 -4.1 189 230 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.918 112.9 50.9 -59.6 -44.5 -48.4 126.2 -6.5 190 231 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.915 108.5 49.3 -59.9 -48.1 -51.7 127.8 -5.3 191 232 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.897 111.6 49.6 -62.8 -41.0 -50.6 131.4 -5.7 192 233 A Y H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 6,-0.5 0.916 108.9 53.4 -59.3 -45.3 -49.3 130.7 -9.2 193 234 A D H X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.889 109.1 50.1 -56.5 -41.2 -52.7 129.0 -9.9 194 235 A M H < S+ 0 0 0 -4,-2.2 -96,-3.2 1,-0.2 -2,-0.2 0.940 118.2 35.5 -63.8 -49.1 -54.4 132.2 -8.7 195 236 A V H < S+ 0 0 6 -4,-2.3 -2,-0.2 -98,-0.2 -1,-0.2 0.672 127.5 34.9 -84.4 -18.8 -52.4 134.7 -10.9 196 237 A C H < S- 0 0 6 -4,-2.4 -99,-0.3 2,-0.3 -3,-0.2 0.534 100.2-122.7-111.5 -11.4 -51.9 132.5 -14.0 197 238 A G S < S+ 0 0 25 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 0.427 85.8 51.5 83.3 -1.3 -55.2 130.7 -14.1 198 239 A D S S- 0 0 78 -6,-0.5 -2,-0.3 -8,-0.0 -1,-0.1 -0.968 91.4 -87.4-156.7 167.6 -53.5 127.3 -14.0 199 240 A I - 0 0 21 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.540 29.7-135.4 -82.9 150.2 -50.9 125.2 -12.1 200 241 A P S S+ 0 0 12 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.753 82.8 47.5 -79.4 -25.0 -47.2 125.5 -13.2 201 242 A F + 0 0 3 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.935 43.9 163.4-124.0 142.4 -46.3 121.8 -13.1 202 243 A E + 0 0 111 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.672 65.9 47.9-118.8 -41.4 -48.0 118.8 -14.6 203 244 A H S >> S- 0 0 112 1,-0.1 4,-1.7 -38,-0.1 3,-0.7 -0.681 83.2-112.4-109.7 159.8 -45.4 116.0 -14.6 204 245 A D H 3> S+ 0 0 52 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.880 115.5 56.3 -55.2 -41.1 -43.0 114.7 -12.0 205 246 A E H 3> S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.801 104.1 52.6 -65.5 -32.4 -40.0 116.0 -14.0 206 247 A E H <> S+ 0 0 76 -3,-0.7 4,-2.6 2,-0.2 5,-0.4 0.902 110.7 48.1 -67.2 -41.7 -41.3 119.5 -14.1 207 248 A I H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.927 111.1 50.4 -62.8 -46.7 -41.7 119.4 -10.3 208 249 A I H < S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.1 45.1 -56.9 -41.5 -38.1 118.1 -9.9 209 250 A R H < S- 0 0 180 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.886 86.1-161.8 -74.6 -41.7 -36.8 120.8 -12.1 210 251 A G < + 0 0 16 -4,-2.6 2,-0.8 1,-0.2 -3,-0.1 0.710 29.3 153.8 67.4 22.3 -38.7 123.7 -10.5 211 252 A Q - 0 0 117 -5,-0.4 2,-0.5 -11,-0.0 -1,-0.2 -0.766 32.6-150.7 -83.9 111.7 -38.3 126.1 -13.4 212 253 A V - 0 0 4 -2,-0.8 2,-0.4 -3,-0.1 -11,-0.0 -0.736 13.1-171.4 -91.6 125.1 -41.3 128.4 -13.2 213 254 A F - 0 0 144 -2,-0.5 2,-0.6 -13,-0.2 -2,-0.0 -0.941 16.2-140.2-111.2 134.9 -42.6 130.0 -16.4 214 255 A F - 0 0 25 -2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.854 17.4-178.3 -99.6 120.4 -45.3 132.8 -16.3 215 256 A R S S+ 0 0 112 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.499 71.2 52.7 -91.6 -6.7 -47.9 132.5 -19.0 216 257 A Q S S- 0 0 98 0, 0.0 2,-0.7 0, 0.0 -20,-0.0 -0.883 101.2 -90.7-124.9 156.0 -49.6 135.6 -17.7 217 258 A R + 0 0 209 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.587 57.5 171.5 -64.0 109.0 -48.5 139.2 -17.0 218 259 A V - 0 0 4 -2,-0.7 -4,-0.1 -4,-0.1 -22,-0.0 -0.984 35.3-105.9-126.2 138.7 -47.6 138.9 -13.3 219 260 A S > - 0 0 24 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.174 27.9-117.6 -61.5 155.0 -45.8 141.5 -11.3 220 261 A S H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.857 113.4 52.6 -64.0 -37.5 -42.2 141.0 -10.3 221 262 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.877 110.1 47.7 -68.3 -37.8 -42.8 140.9 -6.6 222 263 A C H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.923 111.9 50.0 -67.1 -45.0 -45.5 138.2 -7.0 223 264 A Q H X S+ 0 0 50 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.886 110.2 52.8 -57.4 -40.5 -43.2 136.2 -9.3 224 265 A H H X S+ 0 0 108 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.942 110.4 44.6 -60.5 -53.0 -40.5 136.6 -6.6 225 266 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.900 115.0 50.6 -59.1 -41.8 -42.7 135.3 -3.8 226 267 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.944 110.4 47.3 -63.1 -48.0 -43.9 132.5 -6.0 227 268 A R H < S+ 0 0 105 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.767 111.8 54.1 -65.8 -23.1 -40.3 131.5 -7.0 228 269 A W H >< S+ 0 0 74 -4,-1.6 3,-1.7 -5,-0.2 -2,-0.2 0.938 107.5 46.0 -75.7 -51.4 -39.4 131.6 -3.3 229 270 A C H 3< S+ 0 0 0 -4,-2.5 -41,-0.2 1,-0.3 -2,-0.2 0.795 112.9 55.0 -57.7 -28.9 -42.2 129.3 -2.1 230 271 A L T 3< S+ 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.058 76.1 142.9 -99.9 23.8 -41.2 127.0 -4.9 231 272 A A < - 0 0 17 -3,-1.7 6,-0.1 1,-0.1 -3,-0.1 -0.429 53.4-134.6 -58.4 134.6 -37.5 126.8 -3.9 232 273 A L S S+ 0 0 88 -23,-0.1 -62,-0.2 -2,-0.1 -1,-0.1 0.953 92.4 65.7 -59.0 -53.0 -36.2 123.3 -4.6 233 274 A R S > S- 0 0 159 1,-0.1 3,-1.1 -64,-0.1 4,-0.3 -0.608 80.5-144.1 -72.6 124.3 -34.4 123.1 -1.3 234 275 A P G > S+ 0 0 43 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.888 99.3 57.8 -53.7 -44.3 -37.0 123.1 1.5 235 276 A S G 3 S+ 0 0 98 1,-0.3 -2,-0.0 -3,-0.0 -3,-0.0 0.715 100.4 58.1 -62.6 -23.1 -34.8 125.1 3.8 236 277 A D G < S+ 0 0 81 -3,-1.1 -1,-0.3 2,-0.1 -4,-0.1 0.500 86.3 101.8 -83.0 -6.6 -34.6 127.9 1.2 237 278 A R S < S- 0 0 13 -3,-1.9 -8,-0.2 -4,-0.3 2,-0.1 -0.486 80.6-108.6 -76.6 149.7 -38.4 128.2 1.3 238 279 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.395 27.3-119.7 -76.1 157.6 -39.8 131.1 3.3 239 280 A T > - 0 0 70 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.423 34.1 -99.9 -82.1 169.6 -41.6 130.7 6.6 240 281 A F H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.887 127.1 50.3 -59.5 -39.6 -45.2 131.8 7.0 241 282 A E H > S+ 0 0 139 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.944 108.7 51.6 -61.1 -48.2 -44.0 134.9 8.7 242 283 A E H 4 S+ 0 0 88 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.821 109.6 50.7 -59.7 -33.5 -41.6 135.6 5.8 243 284 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 6,-0.3 0.941 110.5 47.4 -68.3 -47.6 -44.4 135.2 3.3 244 285 A Q H 3< S+ 0 0 19 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.568 111.0 52.0 -75.1 -8.5 -46.8 137.6 5.1 245 286 A N T 3< S+ 0 0 112 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.420 83.9 118.3-101.5 -2.6 -44.0 140.2 5.4 246 287 A H S X S- 0 0 9 -3,-1.3 3,-1.5 -4,-0.3 4,-0.2 -0.353 76.5-119.8 -61.2 141.7 -43.2 140.0 1.7 247 288 A P G > S+ 0 0 56 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.779 112.1 59.8 -57.1 -30.8 -43.8 143.3 -0.1 248 289 A W G 3 S+ 0 0 5 1,-0.2 -26,-0.1 -27,-0.2 -4,-0.1 0.746 100.2 57.2 -71.2 -21.4 -46.4 141.8 -2.4 249 290 A M G X S+ 0 0 5 -3,-1.5 3,-0.6 -6,-0.3 -1,-0.2 0.389 82.8 119.9 -88.9 3.3 -48.5 140.9 0.6 250 291 A Q T < S+ 0 0 116 -3,-1.2 -5,-0.1 1,-0.2 -146,-0.0 -0.365 72.0 13.0 -67.1 146.0 -48.6 144.6 1.8 251 292 A D T 3 S- 0 0 150 1,-0.1 -1,-0.2 -2,-0.1 -147,-0.1 0.859 80.5-168.0 61.4 44.3 -52.0 146.4 2.1 252 293 A V < - 0 0 43 -3,-0.6 2,-0.2 1,-0.1 -1,-0.1 -0.269 21.5-111.8 -62.8 147.9 -54.3 143.4 1.9 253 294 A L - 0 0 29 -152,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.496 28.3-108.8 -77.1 150.8 -58.0 144.1 1.5 254 295 A L > - 0 0 111 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.548 33.1-113.7 -71.6 146.3 -60.5 143.3 4.2 255 296 A P H > S+ 0 0 42 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.871 117.2 52.6 -52.4 -40.9 -62.7 140.3 3.3 256 297 A Q H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.880 108.6 48.5 -64.4 -40.4 -65.8 142.6 3.1 257 298 A E H > S+ 0 0 77 -3,-0.4 4,-2.3 1,-0.2 5,-0.3 0.893 106.9 59.0 -61.7 -39.2 -64.1 145.0 0.7 258 299 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.851 106.4 46.9 -60.7 -37.8 -63.0 142.0 -1.4 259 300 A A H X>S+ 0 0 0 -4,-1.5 4,-2.6 3,-0.2 5,-1.8 0.947 112.2 48.4 -68.3 -49.8 -66.6 141.0 -2.0 260 301 A E H <5S+ 0 0 123 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.837 122.1 34.5 -61.0 -37.5 -67.9 144.4 -2.9 261 302 A I H <5S+ 0 0 95 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.883 135.7 17.7 -85.3 -42.7 -65.1 145.1 -5.4 262 303 A H H <5S+ 0 0 17 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.551 127.1 38.7-113.9 -11.0 -64.5 141.6 -6.8 263 304 A L T <5 0 0 25 -4,-2.6 -3,-0.2 -5,-0.3 -4,-0.1 0.650 360.0 360.0-118.9 -20.0 -67.5 139.4 -6.0 264 305 A H < 0 0 143 -5,-1.8 -1,-0.1 -127,-0.0 -4,-0.1 -0.214 360.0 360.0 -97.0 360.0 -70.6 141.5 -6.4