==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-12 4ANB . COMPND 2 MOLECULE: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.D.RICE,N.AAY,N.K.ANAND,C.M.BLAZEY,O.J.BOWLES,J.BUSSENIUS, . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 70.9 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 . 41 14.5 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 . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 33.3 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 1 1 0 0 3 1 2 1 0 0 0 0 0 1 0 0 0 0 1 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 0 1 0 0 1 2 1 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 . 0 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 58 A M 0 0 191 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.1 29.4 -44.6 7.1 2 59 A A - 0 0 105 1,-0.1 71,-0.0 2,-0.1 0, 0.0 0.796 360.0 -5.0 -46.8 -43.7 32.5 -43.0 8.7 3 60 A L S S+ 0 0 45 70,-0.2 2,-2.7 1,-0.0 -1,-0.1 0.662 77.8 168.4-124.8 -45.5 30.5 -41.1 11.4 4 61 A G + 0 0 63 1,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.117 61.9 54.6 71.0 -46.9 26.8 -41.7 10.7 5 62 A E + 0 0 143 -2,-2.7 2,-0.4 -4,-0.1 -1,-0.1 -0.834 62.8 178.0-131.5 88.5 25.2 -40.4 13.9 6 63 A L + 0 0 28 -2,-0.4 2,-0.3 69,-0.2 69,-0.0 -0.840 10.2 161.1-100.8 137.1 26.1 -36.8 14.9 7 64 A K >> - 0 0 108 -2,-0.4 3,-1.7 69,-0.1 4,-0.7 -0.983 48.3-106.6-155.3 147.4 24.4 -35.3 18.0 8 65 A D G >4 S+ 0 0 75 -2,-0.3 3,-0.9 1,-0.3 70,-0.1 0.769 111.3 60.3 -49.4 -42.6 25.1 -32.4 20.4 9 66 A D G 34 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.795 97.6 60.1 -63.9 -27.8 26.3 -34.4 23.4 10 67 A D G <4 S+ 0 0 18 -3,-1.7 21,-1.9 20,-0.1 2,-0.3 0.847 94.3 81.6 -61.7 -36.2 29.2 -35.9 21.4 11 68 A F E << -A 30 0A 14 -3,-0.9 2,-0.4 -4,-0.7 19,-0.2 -0.578 59.8-168.1 -87.1 136.2 30.6 -32.5 20.8 12 69 A E E -A 29 0A 104 17,-2.8 17,-2.7 -2,-0.3 2,-0.1 -0.982 23.0-124.2-122.6 124.6 32.7 -30.6 23.3 13 70 A K E +A 28 0A 141 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.421 29.7 171.3 -69.5 136.1 33.5 -26.9 22.8 14 71 A I E - 0 0 82 13,-3.1 2,-0.3 1,-0.5 14,-0.2 0.699 69.0 -24.8-107.3 -39.5 37.1 -25.7 22.8 15 72 A S E -A 27 0A 49 12,-1.2 12,-2.9 3,-0.0 -1,-0.5 -0.965 59.9-107.9-162.4 153.2 36.6 -22.1 21.7 16 73 A E E -A 26 0A 120 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.776 21.1-163.0 -79.2 134.8 34.2 -19.9 19.9 17 74 A L E - 0 0 66 8,-4.4 9,-0.2 -2,-0.4 2,-0.2 0.566 51.4 -98.4 -92.9 -10.1 35.7 -19.0 16.5 18 75 A G E -A 25 0A 24 7,-1.1 7,-3.1 -3,-0.0 2,-0.3 -0.596 34.7 -76.6 124.6 178.4 33.1 -16.1 16.1 19 76 A A E +A 24 0A 80 5,-0.2 5,-0.2 -2,-0.2 2,-0.1 -0.900 36.4 169.2-119.8 145.8 29.8 -15.0 14.5 20 77 A G - 0 0 58 3,-2.5 2,-1.2 -2,-0.3 -1,-0.1 -0.077 58.3 -32.1-121.6-135.9 28.7 -14.0 11.0 21 78 A N S S- 0 0 99 1,-0.2 145,-0.1 -2,-0.1 3,-0.1 -0.463 128.8 -23.0 -91.4 62.2 25.6 -13.4 9.0 22 79 A G S S+ 0 0 19 -2,-1.2 21,-0.7 1,-0.3 2,-0.3 0.301 121.5 77.0 120.7 -7.5 23.3 -15.9 10.7 23 80 A G E - B 0 42A 12 19,-0.2 -3,-2.5 2,-0.0 2,-0.4 -0.919 56.0-148.2-130.7 155.2 25.7 -18.4 12.2 24 81 A V E -AB 19 41A 27 17,-2.2 17,-3.4 -2,-0.3 2,-0.5 -0.981 20.8-143.7-118.9 143.0 28.1 -18.9 15.1 25 82 A V E -AB 18 40A 30 -7,-3.1 -8,-4.4 -2,-0.4 -7,-1.1 -0.903 15.5-175.7-115.0 123.7 31.3 -21.0 14.8 26 83 A F E -AB 16 39A 26 13,-2.9 13,-2.8 -2,-0.5 2,-0.8 -0.879 26.3-133.5-112.1 144.4 32.9 -23.2 17.4 27 84 A K E -AB 15 38A 57 -12,-2.9 -13,-3.1 -2,-0.4 -12,-1.2 -0.870 45.4-174.7 -85.2 113.7 36.1 -25.2 17.5 28 85 A V E -AB 13 37A 0 9,-2.5 9,-1.8 -2,-0.8 2,-0.5 -0.615 32.5-134.5-109.0 164.5 34.9 -28.5 18.8 29 86 A S E -AB 12 36A 30 -17,-2.7 -17,-2.8 -2,-0.2 2,-1.2 -0.989 15.3-148.4-102.7 128.8 36.0 -31.9 19.9 30 87 A H E >>> -AB 11 35A 6 5,-3.3 4,-2.1 -2,-0.5 3,-1.4 -0.759 17.7-160.2 -89.7 90.7 34.0 -34.8 18.6 31 88 A K T 345S+ 0 0 107 -21,-1.9 -1,-0.2 -2,-1.2 -20,-0.1 0.730 78.4 51.8 -44.7 -50.9 34.6 -37.0 21.6 32 89 A P T 345S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -21,-0.0 0.737 123.1 25.8 -55.3 -39.0 33.7 -40.5 20.1 33 90 A S T <45S- 0 0 60 -3,-1.4 -2,-0.2 2,-0.1 -30,-0.0 0.533 100.2-122.5-107.3 -15.4 36.1 -40.3 17.0 34 91 A G T <5 + 0 0 55 -4,-2.1 -3,-0.2 1,-0.3 2,-0.1 0.391 57.7 153.8 84.3 -1.8 38.7 -37.9 18.4 35 92 A L E < -B 30 0A 54 -5,-0.5 -5,-3.3 -6,-0.1 2,-0.5 -0.331 39.3-144.5 -60.5 133.5 38.1 -35.4 15.4 36 93 A V E +B 29 0A 72 -7,-0.2 52,-0.6 -2,-0.1 2,-0.3 -0.900 36.6 169.2 -91.0 122.2 38.8 -31.7 15.9 37 94 A M E -BC 28 87A 0 -9,-1.8 -9,-2.5 -2,-0.5 2,-0.5 -0.829 41.5-120.6-131.0 169.4 36.2 -29.8 14.0 38 95 A A E -BC 27 86A 8 48,-3.1 48,-2.9 -2,-0.3 2,-0.5 -0.974 30.3-165.8-103.2 132.0 34.6 -26.4 13.2 39 96 A R E -BC 26 85A 12 -13,-2.8 -13,-2.9 -2,-0.5 2,-0.6 -0.973 3.9-161.1-120.4 117.7 30.9 -26.5 14.0 40 97 A K E -BC 25 84A 27 44,-3.0 44,-2.7 -2,-0.5 2,-0.6 -0.895 5.3-157.3-102.0 124.3 28.8 -23.7 12.6 41 98 A L E -BC 24 83A 19 -17,-3.4 -17,-2.2 -2,-0.6 2,-0.7 -0.936 5.8-167.9-104.0 113.4 25.4 -23.2 14.4 42 99 A I E -BC 23 82A 2 40,-3.0 40,-2.1 -2,-0.6 2,-0.3 -0.894 13.7-144.9-103.9 106.2 22.7 -21.4 12.2 43 100 A H E + C 0 81A 98 -21,-0.7 2,-0.3 -2,-0.7 38,-0.2 -0.530 32.1 157.4 -72.2 124.8 19.7 -20.3 14.3 44 101 A L - 0 0 11 36,-1.2 2,-0.5 -2,-0.3 118,-0.0 -0.943 42.3-136.4-137.0 160.6 16.4 -20.6 12.3 45 102 A E + 0 0 171 -2,-0.3 2,-0.3 36,-0.0 -2,-0.0 -0.873 52.2 149.0-116.4 92.7 12.7 -20.9 13.2 46 103 A I - 0 0 34 -2,-0.5 -2,-0.1 1,-0.1 34,-0.1 -0.929 52.4 -95.8-130.4 151.4 11.6 -23.5 10.7 47 104 A K > - 0 0 160 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.105 39.4-117.4 -46.6 154.0 9.1 -26.4 10.2 48 105 A P H > S+ 0 0 79 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.683 115.7 58.3 -75.8 -11.1 10.6 -29.8 11.0 49 106 A A H > S+ 0 0 70 2,-0.2 4,-1.6 3,-0.1 3,-0.2 0.916 110.6 39.1 -75.8 -46.5 10.0 -30.7 7.3 50 107 A I H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.851 112.4 58.7 -73.7 -33.8 12.1 -27.8 6.0 51 108 A R H X S+ 0 0 65 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.741 110.0 43.6 -64.4 -26.6 14.6 -28.4 8.8 52 109 A N H X S+ 0 0 99 -4,-0.6 4,-1.5 -3,-0.2 -2,-0.2 0.777 109.7 55.1 -91.1 -28.0 15.0 -31.9 7.5 53 110 A Q H X S+ 0 0 60 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.815 109.2 49.1 -67.4 -34.8 15.2 -30.9 3.8 54 111 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 3,-0.4 0.962 110.9 49.5 -65.4 -54.1 18.0 -28.5 4.7 55 112 A I H X S+ 0 0 19 -4,-1.2 4,-0.6 1,-0.3 -2,-0.2 0.796 112.5 47.6 -59.5 -29.1 19.8 -31.3 6.5 56 113 A R H < S+ 0 0 159 -4,-1.5 4,-0.4 2,-0.2 -1,-0.3 0.764 110.8 51.5 -80.5 -30.6 19.4 -33.7 3.5 57 114 A E H >< S+ 0 0 42 -4,-1.3 3,-1.3 -3,-0.4 -2,-0.2 0.913 105.7 56.0 -73.1 -38.2 20.6 -31.1 1.1 58 115 A L H >< S+ 0 0 2 -4,-2.7 3,-3.0 1,-0.2 -1,-0.2 0.761 87.7 76.9 -60.3 -28.8 23.6 -30.5 3.1 59 116 A Q G >< S+ 0 0 67 -4,-0.6 3,-2.5 1,-0.3 4,-0.4 0.782 76.3 77.1 -64.6 -21.2 24.6 -34.2 3.0 60 117 A V G X S+ 0 0 54 -3,-1.3 3,-1.4 -4,-0.4 -1,-0.3 0.760 77.3 75.7 -53.7 -23.5 25.8 -33.5 -0.6 61 118 A L G X S+ 0 0 17 -3,-3.0 3,-1.9 1,-0.2 11,-0.4 0.791 78.3 71.7 -61.7 -23.3 28.8 -31.9 1.1 62 119 A H G < S+ 0 0 81 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 95.4 55.4 -56.4 -28.2 30.1 -35.5 1.9 63 120 A E G < S+ 0 0 122 -3,-1.4 2,-1.0 -4,-0.4 -1,-0.3 0.437 81.5 100.1 -83.4 -3.3 30.8 -35.7 -1.8 64 121 A C < + 0 0 9 -3,-1.9 2,-0.7 -4,-0.2 8,-0.4 -0.696 44.8 167.0 -92.5 98.2 33.0 -32.5 -1.9 65 122 A N + 0 0 141 -2,-1.0 5,-0.1 6,-0.1 6,-0.1 -0.873 18.3 124.8-122.3 105.0 36.6 -33.7 -1.9 66 123 A S > - 0 0 13 -2,-0.7 3,-1.0 3,-0.5 53,-0.0 -0.994 60.3-132.9-158.6 140.8 39.2 -31.1 -2.7 67 124 A P T 3 S+ 0 0 74 0, 0.0 80,-0.3 0, 0.0 52,-0.1 0.601 113.1 53.1 -74.8 -5.8 42.3 -29.7 -1.2 68 125 A Y T 3 S+ 0 0 69 50,-0.1 81,-3.2 80,-0.1 2,-0.5 0.409 101.0 68.9-103.2 4.7 40.8 -26.3 -2.0 69 126 A I B < S-e 149 0B 2 -3,-1.0 -3,-0.5 79,-0.3 81,-0.2 -0.991 91.1-110.7-128.2 122.0 37.4 -26.9 -0.3 70 127 A V - 0 0 11 79,-1.5 2,-0.2 -2,-0.5 -2,-0.1 -0.266 44.4-108.7 -46.7 133.9 37.1 -27.1 3.5 71 128 A G - 0 0 21 -4,-0.1 16,-3.6 -6,-0.1 2,-0.4 -0.559 26.3-138.8 -79.9 139.8 36.2 -30.8 4.4 72 129 A F E +D 86 0A 21 -11,-0.4 14,-0.3 -8,-0.4 3,-0.1 -0.842 24.4 172.3-101.1 135.9 32.7 -31.7 5.6 73 130 A Y E - 0 0 72 12,-2.7 2,-0.3 1,-0.4 13,-0.2 0.716 62.8 -49.4-109.5 -41.4 32.0 -34.3 8.5 74 131 A G E -D 85 0A 3 11,-1.4 11,-3.6 -71,-0.1 -1,-0.4 -0.954 36.0-128.4 175.9 172.0 28.2 -33.8 8.9 75 132 A A E +D 84 0A 10 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 33.8 156.9-131.3 130.5 25.2 -31.7 9.3 76 133 A F E -D 83 0A 16 7,-1.7 7,-3.2 -2,-0.3 2,-0.4 -0.922 33.5-120.1-145.7 174.1 22.5 -32.1 12.1 77 134 A Y E +D 82 0A 71 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.961 33.0 161.9-113.1 136.2 19.7 -30.2 14.0 78 135 A S E > -D 81 0A 30 3,-1.9 3,-1.5 -2,-0.4 -2,-0.0 -0.884 59.5 -19.9-157.0 134.1 19.6 -29.8 17.7 79 136 A D T 3 S- 0 0 154 -2,-0.3 3,-0.0 1,-0.3 -1,-0.0 0.871 127.6 -37.3 44.8 58.4 17.8 -27.5 20.2 80 137 A G T 3 S+ 0 0 18 1,-0.1 -36,-1.2 -34,-0.1 2,-0.4 0.352 120.1 94.3 87.6 -4.2 16.9 -24.6 17.8 81 138 A E E < -CD 43 78A 58 -3,-1.5 -3,-1.9 -38,-0.2 2,-0.5 -0.963 63.9-138.1-135.7 127.3 20.1 -24.7 15.7 82 139 A I E -CD 42 77A 2 -40,-2.1 -40,-3.0 -2,-0.4 2,-0.5 -0.717 26.6-150.6 -79.5 124.1 21.3 -26.3 12.4 83 140 A S E -CD 41 76A 0 -7,-3.2 -7,-1.7 -2,-0.5 2,-0.5 -0.815 12.5-168.6 -94.8 123.8 24.9 -27.6 12.8 84 141 A I E -CD 40 75A 22 -44,-2.7 -44,-3.0 -2,-0.5 2,-0.5 -0.978 13.7-158.2-108.5 125.6 27.3 -27.8 9.9 85 142 A C E +CD 39 74A 0 -11,-3.6 -12,-2.7 -2,-0.5 -11,-1.4 -0.909 24.4 154.8-108.9 126.3 30.4 -29.8 10.9 86 143 A M E -CD 38 72A 20 -48,-2.9 -48,-3.1 -2,-0.5 -14,-0.3 -0.893 47.5 -65.1-148.4 164.2 33.6 -29.2 8.9 87 144 A E E -C 37 0A 28 -16,-3.6 2,-0.4 -2,-0.3 -50,-0.2 -0.416 55.1-121.6 -55.6 135.4 37.4 -29.4 8.9 88 145 A H - 0 0 40 -52,-0.6 2,-0.7 -2,-0.1 -1,-0.1 -0.720 18.5-154.4 -88.1 124.4 38.9 -26.9 11.3 89 146 A M > - 0 0 12 -2,-0.4 3,-1.8 1,-0.1 52,-0.2 -0.861 4.5-162.7-106.2 113.0 41.3 -24.2 9.9 90 147 A D T 3 S+ 0 0 61 -2,-0.7 52,-0.3 1,-0.3 -1,-0.1 0.555 89.3 60.2 -76.9 -6.9 43.8 -23.0 12.5 91 148 A G T 3 S- 0 0 3 50,-2.4 -1,-0.3 1,-0.3 51,-0.2 0.520 94.8-150.0 -85.0 -2.9 44.5 -19.9 10.4 92 149 A G < - 0 0 16 -3,-1.8 49,-3.3 49,-0.4 -1,-0.3 -0.380 44.6 -40.3 59.4-148.4 40.9 -18.7 10.6 93 150 A S B > -F 140 0B 5 47,-0.3 4,-2.6 -3,-0.1 3,-0.3 -0.671 52.0-105.8-108.2 165.7 39.9 -16.7 7.5 94 151 A L H > S+ 0 0 0 45,-2.1 4,-3.0 42,-0.8 43,-0.2 0.677 119.2 60.4 -54.0 -25.9 41.6 -14.1 5.3 95 152 A D H > S+ 0 0 40 41,-1.0 4,-1.9 44,-0.3 -1,-0.2 0.926 109.0 42.8 -73.6 -43.8 39.4 -11.4 6.9 96 153 A Q H > S+ 0 0 99 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.917 114.9 51.3 -60.1 -46.0 40.8 -12.3 10.3 97 154 A V H >X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 3,-0.6 0.954 109.0 50.3 -57.0 -50.7 44.3 -12.5 8.7 98 155 A L H 3X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.852 105.9 55.6 -57.0 -40.2 43.8 -9.0 7.1 99 156 A K H 3< S+ 0 0 162 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.844 115.6 38.5 -61.9 -35.2 42.8 -7.4 10.4 100 157 A K H << S+ 0 0 142 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.845 123.8 40.4 -80.3 -38.2 46.0 -8.7 12.0 101 158 A A H < S- 0 0 36 -4,-2.8 2,-1.1 -5,-0.2 -2,-0.2 0.687 85.5-146.2 -83.0 -27.8 48.3 -8.0 8.8 102 159 A G S < S+ 0 0 46 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.1 -0.343 82.5 17.3 87.3 -52.5 46.9 -4.6 7.6 103 160 A R S S- 0 0 168 -2,-1.1 97,-0.2 -6,-0.1 98,-0.1 -0.985 75.6-135.1-151.3 138.2 47.6 -5.5 4.0 104 161 A I - 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0 0 73 -5,-1.2 -1,-0.3 -6,-0.1 3,-0.1 0.002 55.4-102.4 -39.3 135.6 19.6 -10.6 -12.6 182 239 A H - 0 0 164 1,-0.1 -1,-0.1 0, 0.0 -5,-0.0 -0.311 52.4 -75.6 -66.2 147.6 19.7 -14.2 -11.3 183 240 A Y - 0 0 33 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.059 56.2-173.4 -49.0 141.5 23.0 -15.6 -9.9 184 241 A S >> - 0 0 30 -3,-0.1 3,-1.4 1,-0.1 4,-0.6 -0.912 39.8-114.5-135.0 160.4 25.6 -16.4 -12.5 185 242 A V H >> S+ 0 0 39 -2,-0.3 4,-1.0 1,-0.3 3,-0.7 0.795 117.0 65.7 -65.0 -23.2 29.0 -18.1 -12.5 186 243 A Q H 3> S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.708 91.1 63.6 -77.0 -14.8 30.2 -14.8 -13.6 187 244 A S H <> S+ 0 0 0 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.803 94.9 56.8 -76.7 -32.0 29.2 -13.3 -10.2 188 245 A D H S+ 0 0 24 -4,-2.1 4,-1.9 1,-0.2 5,-1.1 0.899 113.3 43.9 -72.8 -45.9 40.4 -5.4 -0.6 199 256 A M H <5S+ 0 0 0 -4,-2.3 -95,-2.6 3,-0.2 -1,-0.2 0.831 114.5 53.3 -63.0 -38.1 43.0 -7.6 0.9 200 257 A A H <5S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.983 119.9 29.9 -59.2 -55.0 45.7 -5.9 -1.4 201 258 A V H <5S- 0 0 42 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.669 109.3-117.8 -88.5 -17.7 44.9 -2.3 -0.3 202 259 A G T <5S+ 0 0 27 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.614 81.0 52.5 100.8 13.2 43.7 -3.2 3.2 203 260 A R S - 0 0 58 -2,-0.2 4,-1.9 3,-0.1 3,-0.3 0.046 54.8-105.8 -42.2 147.9 25.8 5.0 3.1 211 310 A I H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.897 116.2 50.0 -51.0 -53.7 24.7 1.5 2.1 212 311 A F H > S+ 0 0 161 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.899 109.9 52.6 -58.2 -37.6 21.9 2.4 -0.3 213 312 A E H > S+ 0 0 116 -3,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.899 105.9 56.2 -59.9 -42.4 24.2 4.8 -2.1 214 313 A L H X S+ 0 0 17 -4,-1.9 4,-2.5 -3,-0.3 -2,-0.2 0.935 102.8 53.5 -54.8 -51.7 26.8 2.0 -2.4 215 314 A L H X S+ 0 0 19 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.919 113.3 42.5 -54.4 -46.7 24.4 -0.3 -4.2 216 315 A D H X S+ 0 0 102 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.892 111.3 56.6 -65.5 -38.7 23.6 2.4 -6.8 217 316 A Y H X S+ 0 0 72 -4,-2.9 4,-3.7 1,-0.2 -2,-0.2 0.911 105.4 52.0 -54.9 -41.9 27.3 3.4 -7.1 218 317 A I H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.901 116.3 37.3 -66.0 -43.3 28.2 -0.2 -7.9 219 318 A V H < S+ 0 0 31 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.803 128.5 36.1 -74.6 -30.7 25.7 -0.5 -10.8 220 319 A N H < S+ 0 0 100 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.908 110.3 57.6 -96.1 -44.8 26.2 3.1 -11.9 221 320 A E S < S- 0 0 85 -4,-3.7 0, 0.0 -5,-0.3 0, 0.0 -0.302 91.4 -88.8 -90.0 168.0 30.0 3.8 -11.4 222 321 A P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.328 51.8 -92.3 -77.8 164.9 33.0 2.0 -12.8 223 322 A P - 0 0 43 0, 0.0 20,-0.1 0, 0.0 22,-0.0 -0.233 48.1 -85.8 -73.9 159.1 34.6 -1.1 -10.9 224 323 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 -0.132 41.7-161.9 -61.7 160.8 37.5 -0.9 -8.4 225 324 A K - 0 0 159 -20,-0.1 11,-0.1 -28,-0.1 3,-0.0 -0.948 21.4-113.2-135.7 150.5 41.2 -0.8 -9.5 226 325 A L - 0 0 11 -2,-0.3 2,-0.2 10,-0.2 5,-0.1 -0.638 46.7 -95.6 -72.1 150.8 44.5 -1.5 -7.7 227 326 A P - 0 0 62 0, 0.0 4,-0.3 0, 0.0 3,-0.2 -0.505 36.6-133.5 -59.3 141.4 46.8 1.5 -7.4 228 327 A S S S+ 0 0 90 1,-0.2 8,-0.1 -2,-0.2 -2,-0.0 0.486 90.6 51.6 -87.2 -6.5 49.2 1.3 -10.3 229 328 A A S S+ 0 0 96 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.791 109.9 43.1 -96.5 -28.6 52.6 2.0 -8.6 230 329 A V S S+ 0 0 108 -3,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.318 107.3 58.7-106.7 5.3 52.7 -0.6 -5.8 231 330 A F S S- 0 0 28 -4,-0.3 -5,-0.0 -5,-0.1 -31,-0.0 -0.977 88.5-102.8-133.8 146.2 51.3 -3.6 -7.5 232 331 A S > - 0 0 27 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.238 27.6-121.4 -62.3 154.9 52.6 -5.6 -10.6 233 332 A L H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.667 113.3 62.0 -75.5 -17.7 50.7 -5.0 -13.8 234 333 A E H > S+ 0 0 81 2,-0.2 4,-1.4 3,-0.1 27,-0.4 0.877 108.4 40.5 -66.5 -44.6 50.1 -8.7 -13.9 235 334 A F H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.910 114.6 54.0 -76.0 -47.4 48.1 -8.5 -10.7 236 335 A Q H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.891 111.8 44.2 -47.6 -45.1 46.5 -5.3 -11.9 237 336 A D H X S+ 0 0 59 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.815 112.0 52.1 -76.6 -30.2 45.4 -7.0 -15.1 238 337 A F H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 3,-0.4 0.963 111.3 46.8 -70.2 -53.3 44.1 -10.1 -13.4 239 338 A V H >X S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.8 0.928 111.2 51.1 -55.3 -55.3 42.0 -8.1 -11.0 240 339 A N H 3< S+ 0 0 50 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.799 105.7 57.4 -55.4 -31.4 40.6 -5.9 -13.8 241 340 A K H 3< S+ 0 0 80 -4,-1.2 10,-3.1 -3,-0.4 3,-0.4 0.824 107.4 47.0 -70.2 -26.0 39.6 -9.0 -15.8 242 341 A C H << S+ 0 0 0 -4,-1.1 -49,-0.3 -3,-1.1 -1,-0.2 0.526 111.7 54.5 -88.5 -14.4 37.5 -10.4 -12.8 243 342 A L < + 0 0 1 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.229 65.4 132.1-114.8 15.2 35.9 -7.0 -12.5 244 343 A I - 0 0 58 -3,-0.4 6,-0.2 -4,-0.2 -54,-0.0 -0.538 54.8-139.8 -58.5 133.1 34.5 -6.2 -15.9 245 344 A K S S+ 0 0 56 -2,-0.2 -69,-0.2 4,-0.1 -1,-0.2 0.688 86.0 79.2 -71.2 -22.8 30.9 -5.0 -15.2 246 345 A N S >> S- 0 0 61 1,-0.2 4,-2.6 -71,-0.1 3,-1.6 -0.812 70.4-156.9 -89.3 116.6 29.6 -6.9 -18.3 247 346 A P T 34 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.751 93.9 59.9 -65.3 -23.1 29.3 -10.6 -17.3 248 347 A A T 34 S+ 0 0 89 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.704 116.1 33.6 -71.6 -22.0 29.6 -11.5 -21.1 249 348 A E T <4 S+ 0 0 139 -3,-1.6 -1,-0.2 2,-0.1 3,-0.1 0.666 91.5 105.6-110.8 -26.0 33.0 -9.8 -21.1 250 349 A R S < S- 0 0 9 -4,-2.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.210 83.2 -99.0 -45.3 146.1 34.3 -10.6 -17.6 251 350 A A - 0 0 6 -10,-3.1 2,-0.2 -13,-0.1 -1,-0.1 -0.419 35.9-132.6 -71.2 149.3 37.0 -13.3 -17.7 252 351 A D > - 0 0 56 -3,-0.1 4,-1.6 -2,-0.1 5,-0.2 -0.560 26.5-101.7 -95.6 167.7 36.0 -16.9 -16.9 253 352 A L H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.759 120.3 55.8 -55.0 -32.3 37.8 -19.3 -14.5 254 353 A K H > S+ 0 0 174 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.960 111.0 42.2 -65.9 -52.8 39.4 -21.1 -17.5 255 354 A Q H 4 S+ 0 0 113 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.713 114.4 53.7 -65.7 -26.1 41.0 -18.0 -18.9 256 355 A L H >< S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 6,-0.3 0.841 97.6 63.0 -78.4 -37.8 42.0 -16.9 -15.4 257 356 A M H 3< S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.719 109.5 41.9 -55.9 -24.9 43.7 -20.2 -14.6 258 357 A V T 3< S+ 0 0 88 -4,-0.6 -1,-0.2 -3,-0.1 -2,-0.2 0.267 84.7 128.2-110.8 11.4 46.2 -19.4 -17.5 259 358 A H S X> S- 0 0 21 -3,-1.5 4,-2.8 1,-0.1 3,-1.1 -0.408 70.5-117.7 -70.1 141.2 46.7 -15.7 -16.7 260 359 A A H 3> S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.754 114.4 58.7 -42.5 -35.6 50.3 -14.4 -16.4 261 360 A F H 3> S+ 0 0 0 -27,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.884 112.7 39.3 -62.1 -38.0 49.6 -13.4 -12.7 262 361 A I H <> S+ 0 0 3 -3,-1.1 4,-2.8 -6,-0.3 -2,-0.2 0.869 114.6 51.3 -82.9 -43.1 48.7 -17.0 -11.9 263 362 A K H X S+ 0 0 134 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.945 115.5 44.8 -57.8 -45.8 51.5 -18.5 -14.1 264 363 A R H X S+ 0 0 67 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.913 114.1 49.4 -61.7 -45.1 53.9 -16.2 -12.3 265 364 A S H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.845 105.3 56.2 -65.9 -40.3 52.4 -17.0 -8.9 266 365 A D H 3< S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 106.3 49.9 -62.2 -38.6 52.5 -20.7 -9.2 267 366 A A H 3< S+ 0 0 89 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.655 92.5 100.8 -77.4 -16.2 56.2 -20.8 -9.9 268 367 A E S << S- 0 0 51 -4,-0.7 2,-0.9 -3,-0.6 -3,-0.0 -0.420 72.0-133.0 -71.8 146.5 57.0 -18.6 -6.9 269 368 A E + 0 0 198 -2,-0.1 2,-0.5 2,-0.1 -1,-0.1 -0.840 35.8 170.0 -96.6 99.5 58.3 -20.1 -3.6 270 369 A V - 0 0 43 -2,-0.9 2,-1.7 -5,-0.1 3,-0.2 -0.962 29.4-152.0-112.6 116.6 56.1 -18.4 -0.9 271 370 A D > + 0 0 116 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 -0.555 30.5 162.9 -78.8 72.4 56.3 -19.8 2.6 272 371 A F H > S+ 0 0 10 -2,-1.7 4,-3.5 1,-0.2 5,-0.2 0.868 72.2 56.8 -65.2 -37.3 52.7 -18.7 3.4 273 372 A A H > S+ 0 0 22 -3,-0.2 4,-2.1 -129,-0.2 -1,-0.2 0.925 110.1 45.6 -53.2 -45.6 52.6 -21.0 6.4 274 373 A G H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 115.3 46.3 -65.5 -44.5 55.7 -19.2 7.8 275 374 A W H X S+ 0 0 62 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.935 111.3 51.6 -61.6 -52.7 54.2 -15.8 7.0 276 375 A L H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.2 5,-0.2 0.871 111.4 48.6 -50.4 -44.6 50.8 -16.7 8.5 277 376 A C H X>S+ 0 0 35 -4,-2.1 4,-1.4 2,-0.2 5,-0.9 0.899 113.4 42.8 -72.1 -44.2 52.5 -17.8 11.7 278 377 A S H <5S+ 0 0 100 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.912 118.9 51.6 -60.3 -38.6 54.7 -14.8 12.2 279 378 A T H <5S+ 0 0 27 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.871 124.6 19.3 -63.4 -49.0 51.6 -12.8 11.2 280 379 A I H <5S- 0 0 42 -4,-2.9 -1,-0.2 -5,-0.1 -3,-0.2 0.338 107.7-105.1-115.0 4.8 48.9 -14.2 13.6 281 380 A G T <5 0 0 71 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.914 360.0 360.0 73.2 44.6 51.1 -15.9 16.4 282 381 A L < 0 0 96 -5,-0.9 -5,-0.2 -6,-0.2 -4,-0.1 0.481 360.0 360.0 -98.4 360.0 50.7 -19.5 15.5