==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-DEC-10 3PWY . COMPND 2 MOLECULE: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.A.ELLING,D.M.PENNY,R.L.SIMMONS,D.A.ERLANSON,M.J.ROMANOWSKI . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.2 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 . 42 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 27 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 27.8 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 0 1 1 0 1 0 2 0 0 1 0 0 0 1 0 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 . 0 2 1 0 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 71 A P 0 0 178 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.7 98.5 55.1 15.7 2 72 A P - 0 0 133 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.808 360.0-149.4 -93.6 112.9 98.7 54.0 12.0 3 73 A Q - 0 0 90 -2,-0.7 3,-0.2 1,-0.1 0, 0.0 -0.489 35.7 -86.1 -75.4 147.2 97.2 50.6 11.3 4 74 A P - 0 0 115 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.161 67.8 -67.0 -54.0 147.6 98.6 48.5 8.4 5 75 A R - 0 0 82 1,-0.2 2,-0.3 -3,-0.1 0, 0.0 0.008 59.4-101.1 -42.3 130.0 97.2 49.2 4.9 6 76 A K - 0 0 142 -3,-0.2 -1,-0.2 1,-0.1 73,-0.1 -0.411 48.5-132.7 -58.7 115.7 93.6 48.1 4.6 7 77 A K - 0 0 50 -2,-0.3 73,-0.3 71,-0.2 -1,-0.1 -0.024 19.3-157.2 -73.0 172.5 93.8 44.8 2.7 8 78 A R > - 0 0 118 71,-0.1 3,-2.1 1,-0.1 4,-0.1 -0.968 33.0-102.5-149.9 159.8 91.8 43.6 -0.3 9 79 A P G > S+ 0 0 35 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.840 115.6 62.8 -56.1 -38.3 90.8 40.2 -1.9 10 80 A E G 3 S+ 0 0 132 1,-0.3 -3,-0.0 3,-0.1 22,-0.0 0.646 85.9 76.3 -61.2 -17.4 93.4 40.5 -4.6 11 81 A D G < S+ 0 0 37 -3,-2.1 21,-3.2 20,-0.1 22,-0.3 0.458 93.8 64.9 -73.5 0.2 96.2 40.4 -1.9 12 82 A F E < -A 31 0A 14 -3,-1.6 2,-0.7 19,-0.3 19,-0.2 -0.884 68.2-141.2-129.5 151.3 95.6 36.7 -1.5 13 83 A K E -A 30 0A 150 17,-2.7 17,-2.0 -2,-0.3 -3,-0.1 -0.932 37.2-143.8-106.1 103.3 96.0 33.3 -3.3 14 84 A F E +A 29 0A 76 -2,-0.7 15,-0.3 15,-0.2 2,-0.1 -0.330 24.0 174.8 -71.1 147.2 92.9 31.4 -2.2 15 85 A G E - 0 0 43 13,-3.6 -1,-0.1 1,-0.3 14,-0.1 -0.142 37.7 -12.5-125.4-140.8 93.0 27.7 -1.6 16 86 A K E - 0 0 137 1,-0.1 12,-2.3 11,-0.1 2,-0.7 -0.190 65.1-104.6 -70.6 155.3 90.8 24.9 -0.3 17 87 A I E -A 27 0A 98 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.726 33.6-177.1 -79.1 114.0 87.5 25.3 1.6 18 88 A L E - 0 0 68 8,-2.1 2,-0.3 -2,-0.7 9,-0.2 0.835 66.1 -4.2 -80.8 -36.4 88.2 24.5 5.2 19 89 A G E -A 26 0A 32 7,-1.8 7,-3.0 2,-0.0 2,-0.5 -0.989 53.8-147.5-158.7 149.7 84.6 24.9 6.4 20 90 A E E -A 25 0A 149 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.943 22.5-179.5-124.9 109.5 81.2 25.8 5.3 21 91 A G - 0 0 51 3,-1.5 -2,-0.0 -2,-0.5 5,-0.0 -0.153 41.6 -99.6 -89.0-170.2 78.8 27.5 7.7 22 92 A S S S+ 0 0 87 1,-0.1 3,-0.0 -2,-0.1 -1,-0.0 0.845 119.4 18.9 -81.0 -37.4 75.2 28.7 7.3 23 93 A F S S+ 0 0 68 20,-0.0 21,-0.8 30,-0.0 2,-0.3 0.448 129.0 34.6-113.6 -5.5 76.0 32.4 6.7 24 94 A S E - B 0 43A 17 19,-0.2 -3,-1.5 24,-0.0 2,-0.4 -0.890 59.7-138.3-145.4 170.7 79.7 32.1 5.7 25 95 A T E -AB 20 42A 52 17,-2.5 17,-3.7 -2,-0.3 2,-0.6 -0.994 16.4-147.3-136.5 127.9 82.4 30.1 4.0 26 96 A V E +AB 19 41A 31 -7,-3.0 -8,-2.1 -2,-0.4 -7,-1.8 -0.869 21.2 178.7-103.8 115.8 85.9 29.6 5.4 27 97 A V E -AB 17 40A 17 13,-2.5 13,-2.1 -2,-0.6 2,-0.2 -0.951 29.5-122.4-121.4 131.4 88.7 29.4 2.8 28 98 A L E + B 0 39A 20 -12,-2.3 -13,-3.6 -2,-0.4 2,-0.3 -0.518 39.9 178.9 -67.0 131.8 92.5 28.9 3.3 29 99 A A E -AB 14 38A 2 9,-2.7 9,-2.8 -15,-0.3 2,-0.5 -0.990 25.2-140.1-141.2 148.4 94.4 31.8 1.6 30 100 A R E -AB 13 37A 98 -17,-2.0 -17,-2.7 -2,-0.3 7,-0.2 -0.945 22.2-129.3-111.9 122.1 97.9 32.9 1.2 31 101 A E E > -A 12 0A 14 5,-2.4 4,-1.8 -2,-0.5 5,-0.3 -0.453 16.7-142.6 -64.4 135.6 98.8 36.6 1.5 32 102 A L T 4 S+ 0 0 114 -21,-3.2 -1,-0.1 2,-0.2 -20,-0.1 0.909 91.8 43.9 -74.2 -44.1 100.9 37.6 -1.5 33 103 A A T 4 S+ 0 0 100 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.839 129.5 24.8 -71.5 -34.8 103.4 40.0 -0.1 34 104 A T T 4 S- 0 0 64 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.759 92.8-132.3-101.2 -32.2 104.2 38.0 3.1 35 105 A S < + 0 0 69 -4,-1.8 2,-0.4 1,-0.2 -3,-0.1 0.819 52.5 153.1 73.9 37.8 103.4 34.4 2.0 36 106 A R - 0 0 147 -5,-0.3 -5,-2.4 2,-0.0 2,-0.6 -0.792 44.3-128.1-100.8 139.8 101.4 33.8 5.2 37 107 A E E +B 30 0A 66 -2,-0.4 54,-0.5 -7,-0.2 2,-0.4 -0.771 33.3 170.1 -88.7 117.3 98.5 31.4 5.5 38 108 A Y E -BC 29 90A 13 -9,-2.8 -9,-2.7 -2,-0.6 2,-0.9 -0.946 34.9-129.1-119.2 148.1 95.3 32.9 7.0 39 109 A A E -BC 28 89A 8 50,-2.6 50,-1.7 -2,-0.4 2,-0.7 -0.840 29.0-157.2 -94.6 101.1 91.9 31.2 7.1 40 110 A I E -BC 27 88A 0 -13,-2.1 -13,-2.5 -2,-0.9 2,-0.5 -0.719 4.6-149.6 -86.7 114.7 89.7 33.9 5.6 41 111 A K E -BC 26 87A 30 46,-2.3 46,-2.8 -2,-0.7 2,-0.5 -0.733 15.3-157.5 -77.0 124.2 86.0 33.6 6.6 42 112 A I E -BC 25 86A 23 -17,-3.7 -17,-2.5 -2,-0.5 2,-0.4 -0.938 12.5-178.4-114.4 119.2 83.9 34.9 3.8 43 113 A L E -BC 24 85A 3 42,-2.6 42,-3.3 -2,-0.5 2,-0.7 -0.947 25.4-130.6-121.9 133.6 80.4 36.1 4.5 44 114 A E E > - C 0 84A 91 -21,-0.8 4,-1.5 -2,-0.4 3,-0.5 -0.740 12.9-155.3 -85.8 113.5 77.8 37.5 2.0 45 115 A K H > S+ 0 0 55 38,-2.3 4,-2.8 -2,-0.7 3,-0.3 0.880 91.7 55.2 -53.6 -47.4 76.4 40.8 3.4 46 116 A R H > S+ 0 0 158 37,-0.6 4,-1.5 1,-0.3 -1,-0.2 0.859 110.5 46.3 -58.0 -38.1 73.1 40.5 1.4 47 117 A H H > S+ 0 0 60 -3,-0.5 4,-1.0 2,-0.2 -1,-0.3 0.755 112.0 52.2 -75.4 -26.1 72.4 37.1 3.0 48 118 A I H <>S+ 0 0 7 -4,-1.5 5,-2.0 -3,-0.3 6,-0.3 0.912 108.8 49.2 -72.1 -45.5 73.4 38.5 6.5 49 119 A I H ><5S+ 0 0 83 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.886 111.3 49.1 -61.8 -43.0 71.0 41.4 6.2 50 120 A K H 3<5S+ 0 0 135 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.813 112.2 47.4 -68.2 -32.7 68.0 39.2 5.2 51 121 A E T 3<5S- 0 0 99 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.348 108.5-122.0 -93.8 6.3 68.6 36.7 8.0 52 122 A N T < 5S+ 0 0 123 -3,-0.9 4,-0.2 -4,-0.3 -3,-0.2 0.786 70.8 133.5 58.2 33.8 68.9 39.4 10.7 53 123 A K >< + 0 0 53 -5,-2.0 4,-2.3 1,-0.2 5,-0.2 0.081 28.5 112.7-100.1 21.8 72.4 38.1 11.6 54 124 A V H > S+ 0 0 73 -6,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.897 80.5 45.2 -59.5 -45.3 73.8 41.7 11.6 55 125 A P H > S+ 0 0 62 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.901 111.6 53.7 -63.8 -40.1 74.4 41.5 15.4 56 126 A Y H > S+ 0 0 58 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.887 111.4 43.1 -63.9 -42.7 75.9 38.0 15.2 57 127 A V H X S+ 0 0 15 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.882 116.0 48.9 -70.5 -39.7 78.5 39.0 12.6 58 128 A T H X S+ 0 0 69 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.931 111.4 49.2 -63.1 -47.5 79.4 42.2 14.4 59 129 A R H X S+ 0 0 53 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.882 108.4 53.7 -61.0 -41.6 79.7 40.4 17.8 60 130 A E H X S+ 0 0 11 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.874 112.3 45.2 -59.5 -40.4 82.0 37.8 16.3 61 131 A R H X S+ 0 0 103 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.942 113.3 48.3 -68.5 -50.0 84.2 40.5 15.0 62 132 A D H X S+ 0 0 85 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.868 114.8 44.4 -62.0 -42.0 84.3 42.6 18.2 63 133 A V H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.959 111.3 50.5 -67.8 -53.1 85.1 39.6 20.5 64 134 A M H < S+ 0 0 1 -4,-1.7 11,-1.0 -5,-0.3 -1,-0.2 0.709 110.5 52.8 -64.1 -20.3 87.8 38.0 18.3 65 135 A S H < S+ 0 0 65 -4,-1.3 -1,-0.3 9,-0.1 -2,-0.2 0.892 108.9 49.0 -74.4 -43.8 89.5 41.4 18.1 66 136 A R H < S+ 0 0 121 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.818 89.8 94.4 -67.5 -36.0 89.5 41.8 21.9 67 137 A L < + 0 0 7 -4,-2.1 8,-0.3 6,-0.1 59,-0.0 -0.400 43.7 172.9 -63.6 130.1 90.9 38.3 22.6 68 138 A D + 0 0 119 -2,-0.1 -1,-0.1 6,-0.1 5,-0.1 -0.496 39.0 110.6-136.1 63.4 94.7 38.4 23.0 69 139 A H > - 0 0 44 3,-0.2 3,-1.7 1,-0.1 -2,-0.0 -0.997 68.8-126.8-146.3 138.7 95.4 34.8 24.2 70 140 A P T 3 S+ 0 0 55 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.804 107.6 58.4 -56.2 -36.3 97.1 31.8 22.7 71 141 A F T 3 S+ 0 0 3 79,-0.1 80,-3.3 47,-0.1 2,-0.4 0.340 99.9 74.2 -80.4 8.9 94.2 29.4 23.3 72 142 A F B < S-e 151 0B 6 -3,-1.7 2,-0.2 78,-0.3 -3,-0.2 -0.980 89.8-109.8-126.0 137.4 91.9 31.7 21.2 73 143 A V - 0 0 4 78,-1.8 2,-0.3 -2,-0.4 -6,-0.1 -0.429 38.3-132.5 -64.0 126.0 91.8 32.1 17.4 74 144 A K - 0 0 97 -2,-0.2 16,-1.3 -4,-0.1 2,-0.7 -0.602 3.2-142.1 -86.8 140.6 93.2 35.6 16.5 75 145 A L E +D 89 0A 21 -11,-1.0 14,-0.2 -2,-0.3 3,-0.1 -0.908 21.8 177.8 -98.8 109.1 91.5 38.0 14.1 76 146 A Y E - 0 0 116 12,-3.2 2,-0.3 -2,-0.7 -1,-0.2 0.840 59.6 -9.4 -82.6 -36.8 94.3 39.6 12.1 77 147 A F E -D 88 0A 22 11,-0.8 11,-3.1 2,-0.0 2,-0.4 -0.990 49.8-147.6-160.2 151.9 92.3 41.8 9.7 78 148 A T E +D 87 0A 20 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.993 27.3 157.7-122.1 135.8 88.9 42.7 8.4 79 149 A F E -D 86 0A 6 7,-1.9 7,-2.8 -2,-0.4 2,-0.3 -0.980 12.1-173.6-149.1 161.6 88.2 43.8 4.8 80 150 A Q E -D 85 0A 109 -2,-0.3 5,-0.2 -73,-0.3 2,-0.1 -0.993 11.4-166.7-153.0 155.3 85.2 44.0 2.4 81 151 A D - 0 0 51 3,-1.5 5,-0.0 -2,-0.3 -73,-0.0 -0.068 60.5 -52.6-112.9-137.4 84.1 44.8 -1.1 82 152 A D S S+ 0 0 137 1,-0.1 3,-0.0 -2,-0.1 -2,-0.0 0.908 128.1 7.0 -73.9 -45.8 80.6 45.2 -2.6 83 153 A E S S+ 0 0 104 -38,-0.1 -38,-2.3 1,-0.0 -37,-0.6 0.565 117.7 64.9-116.9 -15.6 78.8 42.0 -1.5 84 154 A K E -C 44 0A 83 -40,-0.3 -3,-1.5 -39,-0.1 2,-0.4 -0.858 54.7-149.9-125.3 148.1 81.2 40.2 0.8 85 155 A L E -CD 43 80A 29 -42,-3.3 -42,-2.6 -2,-0.3 2,-0.4 -0.914 17.6-155.7-106.5 141.8 82.9 40.5 4.2 86 156 A Y E -CD 42 79A 20 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.6 -0.976 3.0-162.2-122.3 127.1 86.3 38.9 4.7 87 157 A F E -CD 41 78A 5 -46,-2.8 -46,-2.3 -2,-0.4 2,-1.6 -0.923 11.5-147.7-113.9 112.5 87.6 37.8 8.1 88 158 A G E +CD 40 77A 0 -11,-3.1 -12,-3.2 -2,-0.6 -11,-0.8 -0.576 33.9 167.3 -80.3 85.3 91.4 37.2 8.4 89 159 A L E -CD 39 75A 11 -50,-1.7 -50,-2.6 -2,-1.6 -14,-0.2 -0.573 39.6 -93.5 -98.2 160.6 91.5 34.5 11.0 90 160 A S E -C 38 0A 15 -16,-1.3 2,-0.7 -52,-0.2 -52,-0.1 -0.414 39.3-114.3 -73.3 150.3 94.4 32.2 12.0 91 161 A Y - 0 0 45 -54,-0.5 2,-1.2 -2,-0.1 54,-0.3 -0.773 17.4-154.3 -94.5 109.7 94.8 28.8 10.4 92 162 A A - 0 0 14 -2,-0.7 3,-0.4 1,-0.2 52,-0.2 -0.716 12.6-167.9 -82.6 96.8 94.3 25.9 12.8 93 163 A K S S+ 0 0 91 -2,-1.2 51,-0.2 1,-0.2 -1,-0.2 0.861 78.4 45.2 -57.6 -45.5 96.4 23.3 10.9 94 164 A N S S- 0 0 41 49,-1.4 -1,-0.2 1,-0.2 2,-0.2 0.711 99.0-148.1 -79.6 -22.2 95.3 20.1 12.8 95 165 A G E +F 143 0B 20 48,-1.2 48,-2.3 -3,-0.4 -1,-0.2 -0.572 42.6 6.0 98.8-155.4 91.6 20.9 12.8 96 166 A C E > -F 142 0B 41 46,-0.2 4,-1.1 -2,-0.2 46,-0.2 -0.197 50.8-135.5 -64.8 153.7 88.7 20.1 15.2 97 167 A L H > S+ 0 0 1 44,-1.8 4,-1.9 41,-1.6 3,-0.3 0.890 111.9 58.2 -69.2 -42.6 89.2 18.5 18.6 98 168 A L H > S+ 0 0 27 40,-1.4 4,-2.6 43,-0.3 5,-0.2 0.848 99.5 58.4 -53.1 -38.8 86.2 16.3 17.7 99 169 A K H > S+ 0 0 80 39,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 110.1 41.7 -55.8 -49.3 88.3 15.2 14.7 100 170 A Y H X S+ 0 0 27 -4,-1.1 4,-1.1 -3,-0.3 -2,-0.2 0.700 111.1 57.1 -76.0 -20.6 91.0 13.9 17.0 101 171 A I H X S+ 0 0 4 -4,-1.9 4,-1.2 2,-0.2 3,-0.4 0.956 111.3 42.0 -67.7 -53.1 88.4 12.4 19.4 102 172 A R H < S+ 0 0 185 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.864 111.2 57.6 -59.4 -40.2 86.9 10.3 16.6 103 173 A K H < S+ 0 0 137 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.834 119.2 27.9 -63.1 -37.0 90.4 9.4 15.2 104 174 A I H < S- 0 0 33 -4,-1.1 2,-1.8 -3,-0.4 -1,-0.2 0.404 98.5-130.6-108.3 -0.6 91.6 7.8 18.5 105 175 A G S < S- 0 0 43 -4,-1.2 2,-0.3 -3,-0.2 -2,-0.1 -0.397 78.6 -2.2 84.9 -60.9 88.2 6.7 19.9 106 176 A S S S- 0 0 49 -2,-1.8 93,-0.2 -6,-0.1 2,-0.1 -0.952 75.0-109.0-161.6 145.3 88.8 8.3 23.4 107 177 A F - 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0 0 41 -2,-0.3 3,-1.7 1,-0.0 4,-0.6 -0.739 49.9 -86.0-131.4 179.0 75.8 32.7 32.8 184 261 A K H >> S+ 0 0 46 1,-0.3 3,-0.9 -2,-0.2 4,-0.8 0.836 125.3 61.9 -54.3 -34.5 79.6 32.0 32.9 185 262 A S H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.605 84.7 73.8 -73.4 -14.5 78.6 28.6 34.4 186 263 A S H <> S+ 0 0 4 -3,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.886 101.4 45.2 -60.7 -39.5 76.7 27.6 31.2 187 264 A D H X S+ 0 0 13 -4,-2.3 4,-3.3 1,-0.2 3,-0.6 0.935 112.3 50.1 -61.9 -48.7 83.1 13.4 29.8 197 274 A Q H 3X S+ 0 0 6 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.833 105.0 57.3 -61.7 -36.5 83.4 13.1 26.0 198 275 A L H 3< S+ 0 0 0 -4,-2.5 -91,-2.1 1,-0.2 -1,-0.2 0.828 118.0 33.1 -63.4 -32.5 87.2 13.1 26.2 199 276 A V H << S+ 0 0 15 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.878 127.2 36.0 -90.7 -46.8 87.1 10.0 28.4 200 277 A A H < S- 0 0 36 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.2 0.863 97.3-126.5 -77.1 -38.5 84.0 8.2 27.2 201 278 A G S < S+ 0 0 20 -4,-1.9 -4,-0.2 -5,-0.4 -3,-0.1 0.306 87.9 65.3 100.7 -4.5 84.3 9.0 23.5 202 279 A L S S- 0 0 88 -6,-0.3 -2,-0.3 -8,-0.0 -1,-0.2 -0.986 91.2-101.4-145.2 147.3 80.8 10.3 23.5 203 280 A P - 0 0 7 0, 0.0 -9,-0.1 0, 0.0 -10,-0.1 -0.222 38.6-110.8 -62.6 162.7 79.0 13.3 25.2 204 281 A P S S+ 0 0 9 0, 0.0 2,-0.6 0, 0.0 19,-0.3 0.852 102.0 49.9 -70.2 -36.1 76.9 12.5 28.3 205 282 A F + 0 0 0 -35,-0.3 2,-0.3 17,-0.1 17,-0.1 -0.917 67.9 156.5-112.0 114.0 73.5 13.1 26.8 206 283 A R + 0 0 102 -2,-0.6 2,-0.3 6,-0.1 4,-0.0 -0.996 3.8 144.0-136.4 144.0 72.6 11.5 23.5 207 284 A A - 0 0 38 -2,-0.3 3,-0.0 1,-0.0 6,-0.0 -0.888 58.9 -85.2-157.9-173.6 69.3 10.6 21.8 208 285 A G S S+ 0 0 79 -2,-0.3 2,-0.3 1,-0.1 3,-0.0 0.782 104.7 12.5 -74.3 -29.8 67.5 10.4 18.5 209 286 A N S > S- 0 0 79 1,-0.1 4,-1.6 -3,-0.0 3,-0.2 -0.920 81.1 -99.2-145.0 167.2 66.5 14.0 18.4 210 287 A E H > S+ 0 0 112 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.886 116.6 56.6 -53.9 -45.5 67.0 17.4 20.1 211 288 A Y H > S+ 0 0 159 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 107.4 46.3 -57.9 -46.4 63.9 17.1 22.3 212 289 A L H > S+ 0 0 68 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.835 113.5 50.2 -66.9 -34.0 64.9 13.8 23.9 213 290 A I H X S+ 0 0 14 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.942 112.0 47.0 -66.0 -50.2 68.4 15.2 24.5 214 291 A F H X S+ 0 0 41 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.896 110.8 54.2 -54.7 -42.5 66.9 18.3 26.1 215 292 A Q H X S+ 0 0 76 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.910 108.6 47.3 -59.3 -46.3 64.6 16.0 28.1 216 293 A K H X>S+ 0 0 61 -4,-2.1 5,-3.6 1,-0.2 4,-0.6 0.823 108.3 56.2 -67.2 -34.0 67.6 14.0 29.5 217 294 A I H ><5S+ 0 0 0 -4,-1.9 3,-1.2 3,-0.2 -2,-0.2 0.962 107.4 45.5 -63.9 -53.7 69.5 17.1 30.4 218 295 A I H 3<5S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 117.4 45.6 -62.2 -30.2 66.8 18.7 32.7 219 296 A K H 3<5S- 0 0 146 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.556 111.7-125.8 -85.3 -10.8 66.3 15.3 34.3 220 297 A L T <<5 + 0 0 66 -3,-1.2 2,-1.1 -4,-0.6 -3,-0.2 0.926 44.0 174.8 62.8 49.6 70.1 14.9 34.6 221 298 A E < + 0 0 101 -5,-3.6 2,-0.3 -6,-0.1 -1,-0.2 -0.732 26.5 102.6 -97.2 91.4 70.0 11.5 32.8 222 299 A Y - 0 0 39 -2,-1.1 2,-0.3 -17,-0.1 -17,-0.1 -0.961 41.5-165.0-157.1 156.0 73.5 10.2 32.2 223 300 A D - 0 0 127 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.986 21.4-108.4-147.5 158.8 75.8 7.6 33.7 224 301 A F - 0 0 31 -2,-0.3 2,-0.0 1,-0.1 -28,-0.0 -0.566 27.0-116.8 -90.3 143.3 79.5 6.7 33.7 225 302 A P > - 0 0 57 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.293 35.5-106.0 -63.6 162.9 81.3 3.6 32.1 226 303 A E T 3 S+ 0 0 120 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 0.731 117.7 44.7 -68.5 -25.6 83.0 1.1 34.4 227 304 A K T 3 S+ 0 0 90 2,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.530 79.2 136.6 -96.6 -8.8 86.6 2.3 33.5 228 305 A F < - 0 0 14 -3,-0.8 5,-0.1 1,-0.1 -4,-0.0 -0.088 69.2 -97.4 -44.7 129.7 85.9 6.0 33.7 229 306 A F > - 0 0 46 1,-0.1 4,-2.4 2,-0.1 3,-0.2 -0.297 28.8-143.1 -56.4 127.6 88.7 7.8 35.5 230 307 A P H > S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.862 99.2 46.9 -65.8 -38.4 87.7 8.4 39.2 231 308 A K H > S+ 0 0 91 2,-0.2 4,-0.9 1,-0.2 33,-0.4 0.739 115.4 46.9 -76.0 -24.2 89.3 11.8 39.5 232 309 A A H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.802 108.2 56.9 -81.2 -33.9 87.8 12.9 36.2 233 310 A R H X S+ 0 0 104 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.926 105.7 49.8 -59.5 -48.1 84.4 11.5 37.3 234 311 A D H X S+ 0 0 56 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.885 109.7 51.1 -60.3 -43.0 84.3 13.6 40.4 235 312 A L H X S+ 0 0 0 -4,-0.9 4,-0.6 2,-0.2 -1,-0.2 0.925 110.9 47.9 -60.4 -48.1 85.2 16.8 38.4 236 313 A V H >X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 3,-1.1 0.919 110.7 52.6 -56.7 -45.5 82.3 16.0 36.0 237 314 A E H 3< S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.853 110.1 47.1 -60.2 -38.3 80.0 15.4 39.0 238 315 A K H 3< S+ 0 0 92 -4,-2.1 10,-2.8 1,-0.2 -1,-0.3 0.521 120.3 41.3 -79.6 -7.3 81.0 18.8 40.4 239 316 A L H << S+ 0 0 0 -3,-1.1 2,-1.2 -4,-0.6 -2,-0.2 0.706 102.6 64.1-110.4 -32.0 80.4 20.4 37.0 240 317 A L S < S+ 0 0 4 -4,-3.5 2,-0.4 -5,-0.1 -1,-0.1 -0.550 72.4 140.8 -94.6 68.4 77.3 18.7 35.7 241 318 A V - 0 0 38 -2,-1.2 6,-0.1 -3,-0.2 5,-0.1 -0.890 55.4-136.7-111.8 141.4 74.9 20.1 38.3 242 319 A L S S+ 0 0 77 -2,-0.4 2,-0.6 -68,-0.1 -1,-0.1 0.841 93.6 70.1 -63.8 -36.0 71.3 21.2 37.7 243 320 A D S > S- 0 0 67 1,-0.1 3,-1.0 3,-0.1 -2,-0.1 -0.779 73.0-156.1 -85.0 121.5 71.8 24.3 39.9 244 321 A A G > S+ 0 0 17 -2,-0.6 3,-0.8 1,-0.2 -1,-0.1 0.714 90.7 59.7 -70.9 -23.3 74.2 26.7 38.2 245 322 A T G 3 S+ 0 0 62 1,-0.2 -1,-0.2 7,-0.1 -3,-0.0 0.613 101.6 55.1 -80.7 -12.8 75.3 28.3 41.5 246 323 A K G < S+ 0 0 126 -3,-1.0 2,-0.5 2,-0.1 -1,-0.2 0.251 80.4 117.7-102.3 10.1 76.6 25.0 42.8 247 324 A R S X S- 0 0 0 -3,-0.8 3,-2.6 -6,-0.1 6,-0.3 -0.709 76.2-109.0 -87.3 123.0 78.9 24.3 39.8 248 325 A L T 3 S+ 0 0 13 -10,-2.8 -1,-0.1 -2,-0.5 3,-0.1 -0.266 106.2 26.0 -52.6 106.8 82.6 24.1 40.6 249 326 A G T 3 S+ 0 0 2 1,-0.4 -1,-0.3 -2,-0.3 6,-0.1 0.069 89.4 121.7 125.8 -23.6 84.2 27.3 39.2 250 327 A C S X >S- 0 0 10 -3,-2.6 3,-1.5 -6,-0.1 5,-0.7 -0.280 78.8-100.8 -71.0 158.5 81.2 29.6 39.2 251 328 A E G > 5S+ 0 0 123 1,-0.3 3,-1.3 3,-0.2 -1,-0.1 0.792 125.2 53.1 -51.6 -36.7 81.3 33.0 41.1 252 329 A E G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 -7,-0.1 0.805 106.6 52.9 -68.3 -30.7 79.3 31.5 44.0 253 330 A M G < 5S- 0 0 70 -3,-1.5 -1,-0.3 -6,-0.3 -2,-0.2 0.137 128.6-107.6 -87.7 15.7 81.9 28.7 44.1 254 331 A E T < 5 - 0 0 151 -3,-1.3 3,-0.3 3,-0.1 -3,-0.2 0.841 57.6 -68.4 65.9 47.0 84.4 31.6 44.3 255 332 A G S S+ 0 0 26 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.644 107.4 87.0 -90.3 -20.0 88.5 29.4 39.1 257 334 A G H > S+ 0 0 49 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.892 92.7 43.7 -46.9 -55.5 91.0 28.7 41.9 258 335 A P H > S+ 0 0 57 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.824 111.9 55.2 -62.6 -33.1 89.1 25.7 43.4 259 336 A L H 4 S+ 0 0 0 -4,-0.4 3,-0.4 -3,-0.3 -2,-0.2 0.925 111.2 43.3 -65.1 -46.0 88.4 24.3 39.9 260 337 A K H < S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.824 109.2 59.8 -66.6 -32.6 92.1 24.3 39.1 261 338 A A H < S+ 0 0 75 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.768 76.2 124.1 -68.1 -28.3 92.8 22.9 42.5 262 339 A H S >< S- 0 0 9 -4,-1.1 3,-3.4 -3,-0.4 -3,-0.0 0.005 77.4-113.1 -38.9 131.9 90.7 19.7 41.9 263 340 A P G > S+ 0 0 67 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.719 114.3 69.7 -39.1 -35.0 92.7 16.5 42.4 264 341 A F G 3 S+ 0 0 0 -33,-0.4 3,-0.2 1,-0.3 -2,-0.1 0.717 100.0 48.6 -61.3 -23.9 92.4 15.8 38.6 265 342 A F G < S+ 0 0 8 -3,-3.4 -1,-0.3 1,-0.1 -151,-0.0 -0.398 75.3 120.4-111.4 53.1 94.8 18.7 38.1 266 343 A E S < S+ 0 0 156 -3,-1.0 -1,-0.1 1,-0.1 -2,-0.1 0.864 81.0 33.5 -82.5 -40.0 97.4 17.6 40.6 267 344 A S S S+ 0 0 86 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.1 0.560 92.3 111.8 -93.7 -11.1 100.4 17.3 38.2 268 345 A V - 0 0 23 -8,-0.1 2,-0.9 1,-0.1 -3,-0.0 -0.495 56.1-152.3 -71.4 122.4 99.4 20.1 35.9 269 346 A T > - 0 0 88 -2,-0.3 3,-0.5 1,-0.1 -1,-0.1 -0.860 5.2-166.3 -94.8 105.3 101.6 23.2 35.9 270 347 A W T 3 + 0 0 52 -2,-0.9 3,-0.4 1,-0.2 -1,-0.1 0.416 62.1 101.7 -70.6 2.7 99.3 26.0 34.9 271 348 A E T 3 S- 0 0 80 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.929 101.9 -13.3 -56.9 -61.3 102.4 28.2 34.4 272 349 A N X> + 0 0 71 -3,-0.5 3,-0.7 1,-0.1 4,-0.7 -0.552 67.5 166.5-148.3 76.0 102.8 28.2 30.6 273 350 A L T 34 S+ 0 0 5 -3,-0.4 3,-0.5 1,-0.2 -1,-0.1 0.814 76.7 55.9 -64.0 -35.9 100.6 25.5 29.0 274 351 A H T 34 S+ 0 0 88 1,-0.2 -1,-0.2 3,-0.1 -126,-0.1 0.728 107.4 50.2 -73.2 -22.7 100.9 26.7 25.4 275 352 A Q T <4 S+ 0 0 138 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.591 98.9 90.0 -84.9 -15.8 104.8 26.6 25.6 276 353 A Q S < S- 0 0 63 -4,-0.7 -3,-0.0 -3,-0.5 0, 0.0 -0.156 87.5-103.8 -72.9 173.3 104.5 23.0 26.9 277 354 A T - 0 0 131 -129,-0.0 -130,-0.1 -130,-0.0 -1,-0.1 -0.912 30.5-134.7-106.1 114.2 104.5 19.8 24.8 278 355 A P - 0 0 24 0, 0.0 -167,-0.1 0, 0.0 -130,-0.1 -0.412 30.4-104.5 -64.5 139.1 101.0 18.2 24.3 279 356 A P - 0 0 34 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.304 37.3-103.2 -62.5 147.1 101.0 14.4 24.7 280 357 A K - 0 0 94 1,-0.1 2,-1.0 2,-0.1 -169,-0.1 -0.412 39.6-106.1 -68.6 150.2 100.8 12.2 21.6 281 358 A L 0 0 28 -2,-0.1 -1,-0.1 1,-0.1 -174,-0.0 -0.692 360.0 360.0 -93.3 97.9 97.3 10.7 21.0 282 359 A T 0 0 133 -2,-1.0 -1,-0.1 0, 0.0 -175,-0.1 0.096 360.0 360.0 25.6 360.0 97.3 7.0 21.8