==== 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 15-MAR-12 4AN3 . 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, . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 70.0 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 15.0 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 32.9 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 4 0 3 0 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 1 2 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 0 224 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.9 23.9 47.0 8.2 2 59 A A + 0 0 106 1,-0.2 71,-0.0 2,-0.1 0, 0.0 0.757 360.0 5.3 -45.0 -49.6 20.7 48.9 9.2 3 60 A L S S- 0 0 45 1,-0.2 -1,-0.2 70,-0.2 2,-0.1 0.647 90.3-158.6-112.1 -22.4 19.5 46.6 12.0 4 61 A G - 0 0 40 2,-0.1 2,-0.6 0, 0.0 -1,-0.2 -0.414 57.0 -2.2 75.0-153.8 22.3 44.1 12.4 5 62 A E S S- 0 0 182 -2,-0.1 2,-0.4 -4,-0.1 71,-0.1 -0.613 71.7-147.5 -79.0 115.9 21.8 40.6 14.0 6 63 A L + 0 0 20 -2,-0.6 2,-0.3 69,-0.1 -2,-0.1 -0.682 21.0 179.0 -87.8 133.6 18.3 40.3 15.3 7 64 A K > - 0 0 125 -2,-0.4 3,-1.4 69,-0.1 4,-0.4 -0.983 39.8-117.4-141.7 151.5 17.7 38.2 18.4 8 65 A D G > S+ 0 0 79 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.714 108.4 64.8 -58.4 -26.1 14.8 37.2 20.6 9 66 A D G 3 S+ 0 0 142 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.819 94.3 60.6 -72.2 -30.0 16.2 39.0 23.7 10 67 A D G < S+ 0 0 31 -3,-1.4 21,-2.6 20,-0.1 2,-0.4 0.674 91.7 84.5 -65.1 -24.8 15.9 42.5 22.0 11 68 A F E < -A 30 0A 17 -3,-0.8 2,-0.4 -4,-0.4 19,-0.2 -0.684 56.1-166.7 -94.0 131.4 12.1 42.2 21.6 12 69 A E E -A 29 0A 106 17,-2.2 17,-2.3 -2,-0.4 2,-0.3 -0.961 27.4-123.0-110.9 133.4 9.5 43.0 24.1 13 70 A K E +A 28 0A 169 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.605 30.3 175.1 -75.0 130.0 5.9 41.8 23.3 14 71 A I E - 0 0 79 13,-3.1 2,-0.2 1,-0.4 14,-0.2 0.824 63.2 -34.8 -96.8 -59.4 3.3 44.6 23.3 15 72 A S E -A 27 0A 59 12,-1.2 12,-1.1 0, 0.0 2,-0.5 -0.836 61.9 -93.3-146.7-172.0 0.2 42.6 22.1 16 73 A E E -A 26 0A 117 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.931 22.0-165.4-109.8 132.5 -0.9 39.7 20.0 17 74 A L E - 0 0 54 8,-3.5 9,-0.2 -2,-0.5 2,-0.2 0.238 56.1 -87.9-100.9 10.1 -2.0 40.7 16.5 18 75 A G E -A 25 0A 26 7,-0.6 7,-2.6 2,-0.0 -1,-0.4 -0.509 36.8-110.2 111.8 177.8 -3.6 37.3 15.9 19 76 A A E +A 24 0A 79 5,-0.2 2,-0.2 -2,-0.2 5,-0.2 -0.883 24.2 178.5-144.0 162.8 -2.8 33.8 14.7 20 77 A G E > -A 23 0A 54 3,-1.6 3,-1.3 -2,-0.3 -2,-0.0 -0.779 57.2 -29.7-150.1-160.2 -3.6 31.6 11.6 21 78 A N T 3 S- 0 0 155 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.707 131.4 -8.0 -27.7 -63.9 -2.9 28.1 10.1 22 79 A G T 3 S+ 0 0 45 1,-0.1 21,-0.7 143,-0.0 -1,-0.3 -0.319 118.5 52.7-140.8 56.0 0.6 27.7 11.7 23 80 A G E < -AB 20 42A 26 -3,-1.3 -3,-1.6 19,-0.2 2,-0.3 -0.853 55.2-133.9 173.7 146.5 1.9 30.9 13.4 24 81 A V E -AB 19 41A 36 17,-0.9 17,-2.5 -2,-0.2 2,-0.4 -0.843 17.4-155.7-113.4 144.9 1.4 33.7 15.8 25 82 A V E -AB 18 40A 27 -7,-2.6 -8,-3.5 -2,-0.3 -7,-0.6 -0.984 11.6-175.6-127.8 129.1 2.0 37.4 15.2 26 83 A F E -AB 16 39A 46 13,-3.0 13,-4.3 -2,-0.4 2,-0.5 -0.938 30.1-122.8-123.8 144.8 2.8 39.9 17.9 27 84 A K E -AB 15 38A 58 -12,-1.1 -13,-3.1 -2,-0.4 -12,-1.2 -0.793 47.6-177.9 -76.4 126.5 3.2 43.6 17.9 28 85 A V E -AB 13 37A 3 9,-2.3 9,-2.3 -2,-0.5 2,-0.6 -0.862 32.1-130.0-128.9 162.3 6.7 44.1 19.4 29 86 A S E -AB 12 36A 26 -17,-2.3 -17,-2.2 -2,-0.3 2,-1.2 -0.978 15.1-148.6-108.3 115.1 9.3 46.7 20.5 30 87 A H E >>> -AB 11 35A 4 5,-3.1 4,-2.3 -2,-0.6 3,-1.1 -0.770 21.5-159.8 -77.9 98.0 12.7 46.1 19.1 31 88 A K T 345S+ 0 0 165 -21,-2.6 -1,-0.2 -2,-1.2 -20,-0.1 0.817 78.1 53.9 -59.3 -47.7 14.3 47.7 22.2 32 89 A P T 345S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -21,-0.1 0.778 122.7 28.6 -52.4 -32.9 17.8 48.6 20.9 33 90 A S T <45S- 0 0 56 -3,-1.1 -2,-0.2 2,-0.1 3,-0.1 0.710 98.8-125.3-102.6 -25.9 16.4 50.6 17.9 34 91 A G T <5 + 0 0 55 -4,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.450 58.2 151.8 84.5 5.0 13.0 51.8 19.2 35 92 A L E < -B 30 0A 53 -5,-0.7 -5,-3.1 -6,-0.1 2,-0.5 -0.472 40.7-145.7 -70.3 133.7 11.4 50.2 16.1 36 93 A V E +B 29 0A 66 -7,-0.2 52,-0.5 -2,-0.2 2,-0.3 -0.903 34.6 169.1 -95.8 127.6 7.8 49.0 16.6 37 94 A M E -BC 28 87A 0 -9,-2.3 -9,-2.3 -2,-0.5 2,-0.6 -0.857 41.9-114.2-132.4 168.6 7.4 45.8 14.4 38 95 A A E -BC 27 86A 7 48,-3.3 48,-2.0 -2,-0.3 2,-0.6 -0.946 33.4-158.4 -99.1 119.0 5.1 42.9 13.7 39 96 A R E -BC 26 85A 18 -13,-4.3 -13,-3.0 -2,-0.6 2,-0.5 -0.910 7.4-170.4-104.4 122.8 6.8 39.7 14.8 40 97 A K E -BC 25 84A 39 44,-1.6 44,-2.1 -2,-0.6 2,-0.4 -0.950 6.7-156.7-112.7 116.3 5.6 36.5 13.2 41 98 A L E -BC 24 83A 21 -17,-2.5 -17,-0.9 -2,-0.5 2,-0.5 -0.838 6.7-167.6 -96.2 128.9 6.8 33.2 14.6 42 99 A I E -BC 23 82A 10 40,-2.8 40,-2.3 -2,-0.4 2,-0.7 -0.972 10.5-148.3-117.0 113.1 6.7 30.1 12.3 43 100 A H E + C 0 81A 104 -21,-0.7 2,-0.4 -2,-0.5 38,-0.2 -0.783 29.1 159.2 -84.5 115.0 7.2 26.6 13.7 44 101 A L - 0 0 9 36,-1.2 2,-0.8 -2,-0.7 -2,-0.1 -0.990 34.6-145.7-127.2 137.6 8.8 24.3 11.2 45 102 A E + 0 0 167 -2,-0.4 2,-0.3 36,-0.0 36,-0.0 -0.896 46.7 146.7-101.6 99.0 10.6 21.1 12.3 46 103 A I - 0 0 29 -2,-0.8 5,-0.1 34,-0.1 -2,-0.1 -0.968 57.5 -94.1-139.0 149.8 13.4 21.1 9.7 47 104 A K >> - 0 0 180 -2,-0.3 3,-1.9 1,-0.1 4,-0.9 -0.490 44.9-116.3 -64.6 115.1 17.1 20.0 9.4 48 105 A P H 3> S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.698 113.7 62.4 -15.7 -54.9 19.3 23.1 10.2 49 106 A A H >> S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 3,-0.7 0.944 107.4 43.2 -39.4 -60.9 20.7 23.1 6.6 50 107 A I H <> S+ 0 0 56 -3,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.772 110.5 56.2 -63.8 -29.8 17.2 23.7 5.2 51 108 A R H 3X S+ 0 0 33 -4,-0.9 4,-2.2 -3,-0.2 -1,-0.2 0.820 105.7 49.9 -70.1 -33.9 16.3 26.3 7.8 52 109 A N H < S+ 0 0 159 -4,-1.3 3,-0.9 2,-0.2 4,-0.4 0.879 109.7 50.7 -83.1 -42.0 18.8 33.6 3.7 57 114 A E H >< S+ 0 0 47 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.798 104.4 61.9 -61.6 -32.2 16.2 33.4 0.9 58 115 A L G >< S+ 0 0 3 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.736 85.0 74.8 -65.2 -24.8 14.1 35.7 3.2 59 116 A Q G X> S+ 0 0 73 -3,-0.9 3,-2.2 -4,-0.4 4,-0.5 0.758 76.2 78.1 -64.4 -21.8 16.8 38.4 3.0 60 117 A V G X4 S+ 0 0 54 -3,-1.0 3,-0.8 -4,-0.4 -1,-0.3 0.739 79.7 71.6 -58.7 -15.8 15.6 39.2 -0.6 61 118 A L G X4 S+ 0 0 21 -3,-2.1 3,-1.5 1,-0.2 11,-0.4 0.676 80.4 71.0 -73.5 -16.8 12.8 41.0 1.2 62 119 A H G <4 S+ 0 0 102 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 97.3 53.6 -65.4 -28.0 15.3 43.8 2.2 63 120 A E G << S+ 0 0 127 -3,-0.8 2,-0.8 -4,-0.5 -1,-0.3 0.334 83.5 105.4 -87.6 9.1 15.1 44.6 -1.5 64 121 A C < + 0 0 14 -3,-1.5 2,-0.4 8,-0.0 8,-0.3 -0.803 42.5 166.5 -95.1 115.8 11.3 44.9 -1.5 65 122 A N + 0 0 139 -2,-0.8 5,-0.1 6,-0.1 6,-0.1 -0.799 16.6 122.2-136.4 93.8 10.4 48.6 -1.7 66 123 A S > - 0 0 18 -2,-0.4 3,-1.3 3,-0.4 53,-0.0 -0.991 61.2-130.3-151.6 142.1 6.8 49.5 -2.5 67 124 A P T 3 S+ 0 0 79 0, 0.0 80,-0.2 0, 0.0 52,-0.1 0.643 115.4 53.8 -65.2 -15.5 4.1 51.6 -0.9 68 125 A Y T 3 S+ 0 0 69 50,-0.1 81,-1.8 80,-0.1 2,-0.4 0.112 96.9 74.3-102.9 16.3 2.0 48.5 -1.7 69 126 A I B < S-e 149 0B 5 -3,-1.3 -3,-0.4 79,-0.2 81,-0.2 -1.000 86.9-115.0-130.4 126.2 4.3 45.9 0.1 70 127 A V - 0 0 12 79,-2.5 2,-0.2 -2,-0.4 -2,-0.1 -0.295 45.2-108.3 -58.1 143.7 4.5 45.5 3.9 71 128 A G - 0 0 24 -4,-0.1 16,-3.4 -6,-0.1 2,-0.4 -0.572 25.8-138.3 -85.5 152.2 8.1 46.4 4.9 72 129 A F E +D 86 0A 24 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.878 24.5 170.9-110.9 132.0 10.7 43.9 6.1 73 130 A Y E - 0 0 74 12,-2.2 2,-0.3 -2,-0.4 13,-0.2 0.769 60.5 -48.2-108.6 -37.6 13.1 44.4 9.0 74 131 A G E -D 85 0A 3 11,-1.6 11,-2.4 -71,-0.0 -1,-0.4 -0.993 36.2-132.9 179.4-176.7 14.7 41.0 9.4 75 132 A A E +D 84 0A 12 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.918 27.9 158.9-161.0 122.2 14.5 37.3 9.8 76 133 A F E -D 83 0A 19 7,-1.4 7,-3.0 -2,-0.3 2,-0.4 -0.898 33.5-119.7-141.2 169.0 16.1 34.9 12.2 77 134 A Y E +D 82 0A 91 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.944 32.7 164.8-111.5 131.4 15.9 31.5 13.8 78 135 A S E > -D 81 0A 30 3,-2.7 3,-1.7 -2,-0.4 -2,-0.1 -0.913 64.0 -19.6-147.2 127.7 15.5 31.0 17.5 79 136 A D T 3 S- 0 0 143 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.869 126.0 -42.3 53.2 56.1 14.4 27.9 19.4 80 137 A G T 3 S+ 0 0 24 1,-0.1 -36,-1.2 -34,-0.1 2,-0.4 0.228 120.3 96.8 78.6 -13.9 12.6 25.9 16.6 81 138 A E E < -CD 43 78A 64 -3,-1.7 -3,-2.7 -38,-0.2 2,-0.4 -0.904 64.5-140.7-115.5 139.4 10.9 29.0 15.2 82 139 A I E -CD 42 77A 5 -40,-2.3 -40,-2.8 -2,-0.4 2,-0.4 -0.786 20.0-152.3 -88.3 132.8 11.7 31.3 12.3 83 140 A S E -CD 41 76A 0 -7,-3.0 -7,-1.4 -2,-0.4 2,-0.5 -0.927 9.4-168.4-106.5 129.3 10.8 34.9 13.1 84 141 A I E -CD 40 75A 22 -44,-2.1 -44,-1.6 -2,-0.4 2,-0.4 -0.974 12.3-159.3-118.7 110.6 10.0 37.3 10.2 85 142 A C E +CD 39 74A 0 -11,-2.4 -12,-2.2 -2,-0.5 -11,-1.6 -0.774 24.0 159.6 -93.7 132.5 10.0 40.8 11.6 86 143 A M E -CD 38 72A 20 -48,-2.0 -48,-3.3 -2,-0.4 -14,-0.3 -0.828 44.7 -62.4-147.7 172.2 8.0 43.3 9.5 87 144 A E E -C 37 0A 30 -16,-3.4 2,-0.9 -2,-0.2 -50,-0.2 -0.489 52.6-121.7 -62.2 135.8 6.3 46.6 9.5 88 145 A H - 0 0 40 -52,-0.5 2,-0.8 -2,-0.2 -1,-0.1 -0.695 19.2-154.1 -84.1 108.3 3.4 46.8 11.9 89 146 A M > - 0 0 10 -2,-0.9 3,-2.0 1,-0.1 52,-0.3 -0.724 4.2-156.9 -79.8 109.4 0.1 47.6 9.9 90 147 A D T 3 S+ 0 0 54 -2,-0.8 52,-0.3 1,-0.3 -1,-0.1 0.600 87.2 56.3 -74.5 -8.0 -2.1 49.3 12.6 91 148 A G T 3 S- 0 0 7 50,-3.1 -1,-0.3 1,-0.3 51,-0.2 0.483 97.4-143.4 -92.6 0.7 -5.4 48.4 10.8 92 149 A G < - 0 0 17 -3,-2.0 49,-3.1 49,-0.5 -1,-0.3 -0.321 43.6 -38.4 70.4-160.0 -4.8 44.6 10.7 93 150 A S B > -F 140 0B 10 47,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.551 54.5-107.5 -96.2 167.4 -5.9 42.7 7.6 94 151 A L H > S+ 0 0 2 45,-1.9 4,-2.6 42,-1.3 43,-0.2 0.646 118.6 66.5 -66.6 -17.1 -9.1 43.1 5.5 95 152 A D H > S+ 0 0 49 41,-0.7 4,-1.7 44,-0.3 -1,-0.2 0.954 105.1 38.1 -67.7 -55.8 -10.2 39.9 7.1 96 153 A Q H > S+ 0 0 74 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.913 117.6 53.4 -63.1 -46.8 -10.4 41.4 10.6 97 154 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.893 106.7 51.2 -49.1 -49.1 -11.8 44.6 9.0 98 155 A L H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.887 104.5 57.2 -65.1 -34.5 -14.5 42.7 7.2 99 156 A K H < S+ 0 0 149 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.948 114.5 38.9 -57.0 -49.0 -15.5 41.0 10.5 100 157 A K H < S+ 0 0 142 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.794 121.6 41.8 -66.0 -38.8 -16.1 44.5 12.0 101 158 A A H < S- 0 0 29 -4,-2.4 2,-0.8 -5,-0.1 -2,-0.2 0.783 87.8-146.3 -82.3 -33.2 -17.7 46.1 8.9 102 159 A G S < S+ 0 0 40 -4,-2.4 2,-0.3 -5,-0.3 -1,-0.1 -0.332 81.3 14.6 89.6 -52.2 -19.9 43.3 7.8 103 160 A R S S- 0 0 152 -2,-0.8 96,-0.2 -6,-0.1 95,-0.1 -0.972 76.3-131.6-145.6 147.6 -19.3 44.2 4.1 104 161 A I - 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0 0 0 -2,-0.2 4,-2.2 13,-0.1 5,-0.2 -0.070 31.8-102.0 -69.4 174.5 -8.0 28.7 -8.9 174 232 A P H > S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 44,-0.1 0.965 121.1 45.9 -60.9 -52.2 -9.6 25.9 -10.7 175 233 A E H 4>S+ 0 0 14 69,-0.4 5,-2.1 1,-0.2 70,-0.0 0.841 111.3 52.5 -59.9 -37.8 -6.4 25.0 -12.7 176 234 A R H >45S+ 0 0 68 3,-0.2 3,-1.7 1,-0.2 -1,-0.2 0.920 108.4 52.3 -62.1 -45.5 -4.2 25.2 -9.6 177 235 A L H 3<5S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.884 100.5 59.5 -55.7 -42.5 -6.6 22.8 -7.9 178 236 A Q T 3<5S- 0 0 135 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.389 131.1 -97.7 -69.7 9.3 -6.3 20.4 -10.8 179 237 A G T < 5S+ 0 0 55 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.468 70.2 154.4 88.0 4.8 -2.5 20.4 -9.9 180 238 A T < - 0 0 71 -5,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.239 53.9 -95.1 -55.2 145.2 -1.1 22.9 -12.4 181 239 A H - 0 0 166 1,-0.1 -1,-0.1 0, 0.0 -6,-0.0 -0.392 55.7 -87.4 -61.1 142.4 2.1 24.8 -11.5 182 240 A Y + 0 0 30 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.190 52.9 178.6 -56.5 142.0 1.4 28.2 -10.0 183 241 A S >> - 0 0 34 -3,-0.1 3,-1.3 1,-0.1 4,-0.6 -0.858 44.4-107.0-135.8 169.7 1.0 31.2 -12.3 184 242 A V H >> S+ 0 0 27 -2,-0.3 4,-1.9 1,-0.2 3,-1.5 0.882 116.8 67.8 -64.6 -34.9 0.2 34.9 -12.1 185 243 A Q H 3> S+ 0 0 28 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.607 97.1 56.5 -58.7 -7.8 -3.3 34.2 -13.5 186 244 A S H <> S+ 0 0 1 -3,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.680 100.2 54.0 -97.4 -29.7 -3.8 32.4 -10.1 187 245 A D H S+ 0 0 27 -4,-2.7 4,-1.9 1,-0.2 5,-0.7 0.980 113.3 44.5 -59.5 -51.8 -15.9 37.8 -0.4 198 256 A M H <5S+ 0 0 0 -4,-2.5 -94,-2.8 1,-0.2 -1,-0.2 0.833 115.3 49.2 -57.9 -37.2 -15.3 41.3 1.0 199 257 A A H <5S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.895 119.0 35.5 -65.2 -49.1 -18.1 42.8 -1.0 200 258 A V H <5S- 0 0 44 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.617 105.4-124.0 -88.5 -10.5 -20.7 40.2 -0.1 201 259 A G T <5S+ 0 0 31 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.483 79.5 57.7 86.0 4.2 -19.5 39.7 3.5 202 260 A R S - 0 0 55 -2,-0.3 4,-2.7 1,-0.1 3,-0.4 -0.524 52.8-110.7 -74.0 150.1 -17.7 19.7 2.8 210 310 A I H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 115.2 46.8 -50.7 -52.8 -14.2 20.6 1.8 211 311 A F H > S+ 0 0 157 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.831 113.4 51.5 -65.9 -25.3 -13.5 17.9 -0.7 212 312 A E H > S+ 0 0 121 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.917 108.4 51.9 -71.2 -44.5 -16.9 18.7 -2.3 213 313 A L H X S+ 0 0 19 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.922 104.7 56.2 -55.9 -50.2 -15.9 22.4 -2.5 214 314 A L H X S+ 0 0 15 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.879 114.2 37.9 -55.2 -43.7 -12.6 21.6 -4.2 215 315 A D H X S+ 0 0 100 -4,-1.4 4,-3.5 2,-0.2 5,-0.3 0.844 111.8 61.2 -72.5 -33.4 -14.4 19.7 -7.1 216 316 A Y H X S+ 0 0 73 -4,-2.6 4,-3.5 1,-0.2 -2,-0.2 0.952 106.1 46.4 -51.4 -53.3 -17.1 22.3 -6.9 217 317 A I H < S+ 0 0 1 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.862 116.4 43.3 -57.7 -42.1 -14.5 25.0 -7.8 218 318 A V H < S+ 0 0 26 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.963 125.9 32.9 -68.7 -48.2 -13.0 22.9 -10.6 219 319 A N H < S+ 0 0 110 -4,-3.5 -2,-0.2 -5,-0.1 -3,-0.2 0.764 108.1 67.4 -83.1 -31.4 -16.3 21.8 -12.1 220 320 A E S < S- 0 0 83 -4,-3.5 0, 0.0 -5,-0.3 0, 0.0 -0.454 88.2 -91.8-101.3 166.3 -18.8 24.7 -11.4 221 321 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 22,-0.1 -0.291 53.4 -94.5 -78.4 161.8 -18.9 28.2 -12.8 222 322 A P - 0 0 46 0, 0.0 2,-0.1 0, 0.0 21,-0.1 -0.095 44.4 -87.8 -72.5 169.1 -17.1 30.9 -10.9 223 323 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 19,-0.1 -0.385 43.0-166.3 -74.1 164.6 -18.6 33.3 -8.4 224 324 A K - 0 0 137 -20,-0.1 11,-0.1 -2,-0.1 3,-0.1 -0.950 23.1-102.0-144.6 154.5 -20.3 36.5 -9.3 225 325 A L - 0 0 10 -2,-0.3 2,-0.2 10,-0.1 5,-0.1 -0.490 45.7 -95.6 -76.4 148.8 -21.5 39.7 -7.6 226 326 A P - 0 0 58 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 -0.540 36.1-143.4 -52.5 129.4 -25.2 40.3 -6.9 227 327 A S S S+ 0 0 90 -2,-0.2 3,-0.3 1,-0.2 8,-0.1 0.641 87.7 65.5 -79.6 -14.7 -26.2 42.3 -9.9 228 328 A A S S+ 0 0 92 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.966 107.5 30.3 -72.1 -50.3 -28.5 44.6 -7.9 229 329 A V S S+ 0 0 110 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.046 106.7 67.3-106.3 18.2 -26.2 46.4 -5.6 230 330 A F S S- 0 0 27 -3,-0.3 5,-0.0 -4,-0.2 -5,-0.0 -0.983 84.2 -99.9-144.2 141.8 -22.8 46.8 -7.4 231 331 A S > - 0 0 30 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.238 29.1-120.0 -65.8 159.1 -21.8 48.8 -10.5 232 332 A L H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.754 114.3 57.2 -70.2 -31.2 -21.6 46.9 -13.8 233 333 A E H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 27,-0.4 0.822 107.2 47.7 -69.2 -36.7 -17.9 47.9 -14.1 234 334 A F H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.837 112.2 50.3 -68.5 -37.1 -17.1 46.2 -10.7 235 335 A Q H X S+ 0 0 15 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.892 112.3 46.9 -69.0 -40.9 -19.1 43.1 -11.8 236 336 A D H X S+ 0 0 60 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.898 111.2 52.9 -60.8 -40.6 -17.1 43.1 -15.0 237 337 A F H X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.920 113.5 40.6 -66.8 -51.1 -13.8 43.6 -13.1 238 338 A V H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.818 113.6 55.8 -63.9 -36.8 -14.4 40.7 -10.8 239 339 A N H < S+ 0 0 38 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.914 106.0 50.2 -64.5 -47.2 -15.8 38.6 -13.7 240 340 A K H < S+ 0 0 85 -4,-2.6 10,-2.9 1,-0.2 -1,-0.2 0.677 109.6 52.2 -60.1 -25.8 -12.6 39.1 -15.7 241 341 A C H < S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.715 112.3 47.1 -78.6 -26.3 -10.5 38.0 -12.7 242 342 A L < + 0 0 1 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.274 69.0 135.5-106.2 8.9 -12.6 34.8 -12.3 243 343 A I - 0 0 58 -4,-0.3 6,-0.2 -3,-0.2 -54,-0.0 -0.442 53.9-139.2 -51.4 127.0 -12.7 33.5 -15.9 244 344 A K S S+ 0 0 60 -2,-0.1 -69,-0.4 4,-0.1 -1,-0.1 0.799 86.6 75.7 -70.9 -29.4 -12.0 29.7 -15.3 245 345 A N S >> S- 0 0 70 1,-0.2 4,-1.2 -71,-0.1 3,-0.7 -0.753 73.9-154.3 -78.5 122.7 -9.7 29.3 -18.2 246 346 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.798 93.5 62.5 -72.6 -27.3 -6.4 31.0 -17.1 247 347 A A T 34 S+ 0 0 87 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.824 112.1 36.4 -57.0 -36.2 -5.6 31.7 -20.8 248 348 A E T <4 S+ 0 0 144 -3,-0.7 -1,-0.2 2,-0.1 -5,-0.1 0.505 92.1 106.3-101.6 -12.6 -8.8 33.9 -21.0 249 349 A R S < S- 0 0 4 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.402 83.6 -97.1 -60.3 144.8 -8.7 35.5 -17.5 250 350 A A - 0 0 5 -10,-2.9 2,-0.2 -13,-0.1 -1,-0.1 -0.322 37.8-139.9 -60.2 146.9 -7.6 39.2 -17.5 251 351 A D > - 0 0 60 -3,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.573 28.3 -97.9 -97.3 174.5 -3.9 39.8 -16.8 252 352 A L H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.864 121.4 55.4 -62.2 -44.2 -2.5 42.7 -14.6 253 353 A K H > S+ 0 0 176 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.957 114.3 43.4 -43.7 -54.0 -1.7 45.0 -17.6 254 354 A Q H >4 S+ 0 0 113 1,-0.3 3,-0.6 2,-0.2 -2,-0.2 0.822 111.2 51.3 -71.6 -37.9 -5.3 44.7 -18.6 255 355 A L H >< S+ 0 0 1 -4,-2.1 3,-1.3 1,-0.2 -1,-0.3 0.774 100.5 65.4 -67.2 -26.0 -6.8 45.0 -15.2 256 356 A M H 3< S+ 0 0 47 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.694 108.3 38.6 -76.8 -18.6 -4.8 48.3 -14.5 257 357 A V T << S+ 0 0 87 -3,-0.6 -1,-0.3 -4,-0.5 2,-0.2 0.072 88.5 132.0-116.3 19.1 -6.7 50.1 -17.3 258 358 A H S X> S- 0 0 21 -3,-1.3 4,-2.4 1,-0.1 3,-1.4 -0.518 71.1-112.2 -72.4 140.4 -10.2 48.6 -16.6 259 359 A A H 3> S+ 0 0 51 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.815 118.2 51.5 -34.0 -48.8 -13.2 50.9 -16.4 260 360 A F H 3> S+ 0 0 0 -27,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.809 112.0 44.8 -67.6 -33.3 -13.5 50.0 -12.6 261 361 A I H <> S+ 0 0 1 -3,-1.4 4,-2.5 -6,-0.2 5,-0.2 0.928 114.3 47.9 -74.1 -50.5 -9.8 50.9 -11.8 262 362 A K H X S+ 0 0 124 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.924 114.3 49.1 -54.4 -43.3 -9.8 54.1 -13.8 263 363 A R H X S+ 0 0 66 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.936 114.8 43.3 -63.0 -46.5 -13.1 55.1 -12.1 264 364 A S H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.744 107.3 58.9 -70.8 -32.0 -11.8 54.3 -8.6 265 365 A D H < S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.939 107.5 48.4 -59.7 -48.0 -8.4 56.0 -9.2 266 366 A A H < S+ 0 0 89 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.724 96.1 96.0 -65.0 -27.1 -10.2 59.2 -9.9 267 367 A E S < S- 0 0 55 -4,-0.8 2,-0.8 -5,-0.1 -3,-0.0 -0.280 70.7-134.9 -73.9 157.2 -12.4 58.9 -6.8 268 368 A E + 0 0 196 2,-0.1 2,-0.5 -2,-0.0 -1,-0.1 -0.869 32.6 170.2-114.1 98.5 -11.7 60.6 -3.5 269 369 A V - 0 0 40 -2,-0.8 2,-1.4 -5,-0.1 3,-0.2 -0.932 31.7-146.1-115.4 132.4 -12.3 58.0 -0.8 270 370 A D > + 0 0 119 -2,-0.5 4,-2.7 1,-0.2 3,-0.4 -0.698 33.3 164.8-100.0 74.4 -11.2 58.8 2.7 271 371 A F H > + 0 0 11 -2,-1.4 4,-3.3 1,-0.2 -1,-0.2 0.875 67.4 58.3 -61.4 -41.7 -10.4 55.3 3.3 272 372 A A H > S+ 0 0 22 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.785 111.6 41.0 -60.4 -30.5 -8.3 56.1 6.5 273 373 A G H > S+ 0 0 29 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.843 112.0 54.5 -90.3 -38.8 -11.3 57.7 8.1 274 374 A W H X S+ 0 0 61 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.971 114.2 43.8 -45.3 -59.0 -13.6 55.0 6.9 275 375 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 5,-0.3 0.960 112.0 49.3 -53.3 -58.4 -11.3 52.5 8.5 276 376 A C H <>S+ 0 0 36 -4,-2.1 5,-1.3 1,-0.3 4,-0.4 0.862 111.8 51.7 -60.5 -36.7 -10.7 54.4 11.8 277 377 A S H ><5S+ 0 0 101 -4,-2.4 3,-0.8 3,-0.2 -1,-0.3 0.962 112.9 43.7 -52.1 -53.9 -14.5 54.8 12.1 278 378 A T H 3<5S+ 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.699 122.3 32.9 -79.0 -23.7 -15.3 51.0 11.6 279 379 A I T 3<5S- 0 0 41 -4,-2.0 -1,-0.2 -178,-0.0 -2,-0.1 0.215 108.1-115.9-114.6 10.2 -12.6 49.4 13.8 280 380 A G T < 5 0 0 69 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.848 360.0 360.0 54.7 46.8 -12.6 52.1 16.4 281 381 A L < 0 0 95 -5,-1.3 -4,-0.1 -6,-0.3 -5,-0.1 0.474 360.0 360.0 -82.9 360.0 -9.0 53.2 15.8