==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUL-08 3DY7 . COMPND 2 MOLECULE: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.F.OHREN,A.PAVLOVSKY,E.ZHANG . 260 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 68.5 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 . 40 15.4 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 0.8 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 3 1 0 1 0 2 1 0 0 0 0 1 0 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 . 0 1 0 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 . 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 62 A E 0 0 203 0, 0.0 2,-0.4 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 -41.1 35.0 -21.0 23.7 2 63 A L + 0 0 27 69,-0.1 2,-0.3 67,-0.1 69,-0.1 -0.871 360.0 176.6-102.3 133.4 36.8 -17.8 22.6 3 64 A K - 0 0 118 -2,-0.4 3,-0.1 1,-0.1 71,-0.1 -0.883 37.5-122.5-132.0 159.7 36.0 -14.4 24.2 4 65 A D S > S+ 0 0 72 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.892 110.0 51.0 -69.8 -40.5 37.2 -10.8 24.0 5 66 A D T 3 S+ 0 0 112 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.726 97.2 71.5 -72.0 -22.0 38.1 -10.4 27.7 6 67 A D T 3 S+ 0 0 46 -3,-0.1 21,-0.9 21,-0.1 2,-0.3 0.169 89.1 83.0 -76.4 17.2 40.2 -13.6 27.6 7 68 A F E < -A 26 0A 17 -3,-1.0 2,-0.3 19,-0.2 19,-0.2 -0.829 56.6-158.3-127.3 163.8 42.9 -12.0 25.5 8 69 A E E -A 25 0A 106 17,-1.2 17,-1.7 -2,-0.3 -3,-0.0 -0.896 23.4-125.1-148.3 109.3 46.0 -9.8 25.9 9 70 A K E +A 24 0A 135 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.241 31.8 169.4 -48.4 129.9 47.6 -7.7 23.3 10 71 A I E - 0 0 76 13,-2.1 2,-0.3 1,-0.5 14,-0.2 0.752 59.7 -36.7-111.0 -54.8 51.3 -8.5 22.9 11 72 A S E -A 23 0A 52 12,-1.7 12,-1.6 0, 0.0 2,-0.6 -0.929 62.7 -91.4-156.9-178.8 52.4 -6.7 19.7 12 73 A E E -A 22 0A 112 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.913 24.9-170.3-111.1 124.4 51.1 -5.7 16.3 13 74 A L E - 0 0 59 8,-2.3 2,-0.3 -2,-0.6 9,-0.2 0.817 55.6 -68.3 -82.9 -34.3 51.8 -8.0 13.4 14 75 A G E -A 21 0A 36 7,-1.3 7,-2.3 2,-0.0 2,-0.3 -0.906 42.9-122.5 161.0 176.5 50.7 -5.8 10.5 15 76 A A E +A 20 0A 80 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.984 21.9 167.9-148.1 154.8 47.6 -4.2 8.8 16 77 A G - 0 0 54 3,-2.6 2,-1.6 -2,-0.3 3,-0.0 -0.590 54.8 -35.8-140.6-156.5 45.7 -4.0 5.6 17 78 A N S S- 0 0 145 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.613 127.3 -12.6 -74.4 85.3 42.5 -2.9 3.8 18 79 A G S S+ 0 0 43 -2,-1.6 21,-1.0 1,-0.2 2,-0.3 0.287 121.1 76.3 115.4 -10.2 39.9 -3.5 6.6 19 80 A G E - B 0 38A 14 19,-0.2 -3,-2.6 -3,-0.0 2,-0.4 -0.972 49.4-164.7-136.9 143.9 41.8 -5.6 9.1 20 81 A V E -AB 15 37A 31 17,-1.9 17,-2.8 -2,-0.3 2,-0.5 -0.975 17.5-152.9-121.2 142.3 44.5 -5.2 11.8 21 82 A V E -AB 14 36A 23 -7,-2.3 -8,-2.3 -2,-0.4 -7,-1.3 -0.965 8.6-167.7-126.5 130.2 46.3 -8.2 13.2 22 83 A F E -AB 12 35A 28 13,-2.7 13,-2.7 -2,-0.5 2,-0.7 -0.871 27.1-128.3-113.5 142.3 47.9 -8.7 16.6 23 84 A K E +AB 11 34A 66 -12,-1.6 -13,-2.1 -2,-0.4 -12,-1.7 -0.812 51.9 172.7 -73.3 115.6 50.2 -11.2 18.2 24 85 A V E -AB 9 33A 2 9,-2.7 9,-2.7 -2,-0.7 2,-0.5 -0.884 34.1-126.5-132.4 166.5 48.1 -12.0 21.2 25 86 A S E -AB 8 32A 23 -17,-1.7 -17,-1.2 -2,-0.3 2,-1.2 -0.941 12.9-143.6-116.0 128.0 48.0 -14.3 24.2 26 87 A H E >> -A 7 0A 12 5,-2.4 3,-2.7 -2,-0.5 4,-2.1 -0.732 18.6-158.9 -90.8 91.8 45.0 -16.4 25.0 27 88 A K T 34 S+ 0 0 120 -2,-1.2 3,-0.3 -21,-0.9 -1,-0.2 0.808 83.3 53.8 -44.4 -56.2 45.2 -16.3 28.8 28 89 A P T 34 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 -21,-0.1 0.711 124.7 26.3 -52.6 -21.5 43.1 -19.4 29.6 29 90 A S T <4 S- 0 0 60 -3,-2.7 -2,-0.2 2,-0.2 3,-0.1 0.599 91.5-130.6-123.0 -18.5 45.3 -21.5 27.4 30 91 A G < + 0 0 54 -4,-2.1 -3,-0.1 -3,-0.3 2,-0.0 0.208 58.8 143.2 83.3 -16.0 48.8 -19.9 27.2 31 92 A L - 0 0 78 -5,-0.4 -5,-2.4 -6,-0.1 2,-0.6 -0.289 50.7-134.4 -61.4 134.4 48.6 -20.3 23.4 32 93 A V E +B 25 0A 61 -7,-0.2 52,-0.7 -3,-0.1 2,-0.3 -0.818 37.5 172.6 -85.2 125.8 50.1 -17.5 21.4 33 94 A M E -BC 24 83A 1 -9,-2.7 -9,-2.7 -2,-0.6 2,-0.5 -0.803 34.9-120.7-128.0 166.9 47.7 -16.7 18.6 34 95 A A E -BC 23 82A 5 48,-3.3 48,-3.5 -2,-0.3 2,-0.5 -0.963 28.5-160.1-108.6 131.0 47.2 -14.2 15.8 35 96 A R E -BC 22 81A 22 -13,-2.7 -13,-2.7 -2,-0.5 2,-0.6 -0.958 2.9-158.6-118.0 125.5 44.0 -12.2 16.1 36 97 A K E -BC 21 80A 34 44,-2.6 44,-2.4 -2,-0.5 2,-0.5 -0.920 4.2-159.8-107.7 117.6 42.5 -10.4 13.2 37 98 A L E -BC 20 79A 15 -17,-2.8 -17,-1.9 -2,-0.6 2,-0.6 -0.847 5.1-170.0 -92.7 124.4 40.1 -7.6 13.9 38 99 A I E -BC 19 78A 7 40,-3.2 40,-3.3 -2,-0.5 2,-0.7 -0.955 17.9-140.0-115.3 114.4 37.8 -6.6 11.0 39 100 A H + 0 0 107 -21,-1.0 2,-0.4 -2,-0.6 38,-0.3 -0.599 31.3 169.4 -75.8 112.7 35.9 -3.5 11.6 40 101 A L - 0 0 18 -2,-0.7 2,-1.4 36,-0.1 36,-0.1 -0.970 32.5-150.8-131.9 118.4 32.4 -3.9 10.3 41 102 A E + 0 0 177 -2,-0.4 2,-0.3 116,-0.1 -2,-0.0 -0.685 52.0 145.6 -80.5 89.8 29.4 -1.6 10.9 42 103 A I - 0 0 50 -2,-1.4 34,-0.1 2,-0.0 -2,-0.1 -0.947 51.0-104.5-143.9 151.0 26.8 -4.4 10.7 43 104 A K >> - 0 0 162 -2,-0.3 4,-2.7 1,-0.1 3,-0.6 -0.307 37.9-109.4 -74.0 153.2 23.5 -5.6 12.0 44 105 A P H 3> S+ 0 0 88 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.755 113.3 58.6 -50.2 -34.8 23.1 -8.5 14.5 45 106 A A H 3> S+ 0 0 81 2,-0.2 4,-1.1 1,-0.2 -3,-0.0 0.921 115.2 33.3 -66.7 -43.5 21.7 -11.0 11.9 46 107 A I H <> S+ 0 0 32 -3,-0.6 4,-2.6 2,-0.2 5,-0.3 0.890 111.1 61.6 -82.6 -42.3 24.6 -10.8 9.5 47 108 A R H X S+ 0 0 52 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.874 109.5 46.7 -45.8 -37.8 27.2 -10.3 12.3 48 109 A N H X S+ 0 0 108 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.845 107.9 55.6 -76.4 -34.2 25.9 -13.8 13.3 49 110 A Q H X S+ 0 0 65 -4,-1.1 4,-2.2 2,-0.2 5,-0.2 0.953 105.9 49.8 -57.6 -55.4 26.0 -15.2 9.8 50 111 A I H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 3,-0.2 0.923 113.4 46.6 -54.9 -48.7 29.7 -14.4 9.3 51 112 A I H >X S+ 0 0 33 -4,-1.3 4,-0.9 -5,-0.3 3,-0.6 0.929 111.9 51.2 -55.4 -48.0 30.5 -16.0 12.6 52 113 A R H 3< S+ 0 0 165 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.811 112.0 47.1 -62.9 -29.7 28.4 -19.1 11.7 53 114 A E H >< S+ 0 0 41 -4,-2.2 3,-0.6 1,-0.2 -1,-0.3 0.657 102.9 63.1 -87.4 -20.1 30.1 -19.4 8.3 54 115 A L H X< S+ 0 0 3 -4,-1.3 3,-2.1 -3,-0.6 4,-0.2 0.698 83.0 79.1 -77.1 -21.7 33.6 -19.1 9.9 55 116 A Q G >< S+ 0 0 75 -4,-0.9 3,-2.7 1,-0.3 4,-0.5 0.812 76.8 73.5 -54.5 -31.5 33.0 -22.3 11.9 56 117 A V G X S+ 0 0 61 -3,-0.6 3,-1.9 1,-0.3 -1,-0.3 0.838 81.2 73.1 -53.3 -29.4 33.8 -24.2 8.7 57 118 A L G X S+ 0 0 17 -3,-2.1 3,-0.8 1,-0.3 -1,-0.3 0.686 82.9 66.8 -62.2 -18.4 37.4 -23.1 9.5 58 119 A H G < S+ 0 0 79 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.830 100.6 50.8 -67.6 -27.9 37.5 -25.6 12.3 59 120 A E G < S+ 0 0 118 -3,-1.9 2,-1.3 -4,-0.5 -1,-0.2 0.420 86.3 97.7 -87.5 -1.2 37.2 -28.3 9.6 60 121 A C < + 0 0 5 -3,-0.8 2,-0.6 -4,-0.3 8,-0.1 -0.610 46.8 155.2 -92.2 80.1 40.1 -26.8 7.6 61 122 A N + 0 0 120 -2,-1.3 5,-0.1 6,-0.1 6,-0.0 -0.923 11.8 124.1-110.0 122.3 43.1 -28.8 8.7 62 123 A S > - 0 0 23 -2,-0.6 3,-1.0 3,-0.5 53,-0.0 -0.936 64.7-121.0-164.1 151.4 46.1 -29.1 6.3 63 124 A P T 3 S+ 0 0 77 0, 0.0 80,-0.4 0, 0.0 52,-0.1 0.521 117.2 56.2 -75.9 -1.9 49.7 -28.4 6.7 64 125 A Y T 3 S+ 0 0 65 80,-0.1 81,-2.4 50,-0.1 2,-0.4 0.355 98.1 70.0-108.7 2.3 49.2 -25.9 3.9 65 126 A I B < S-e 145 0B 3 -3,-1.0 -3,-0.5 79,-0.3 81,-0.2 -0.984 89.1-111.3-120.5 133.3 46.4 -24.0 5.6 66 127 A V - 0 0 11 79,-2.3 -2,-0.1 -2,-0.4 -6,-0.1 -0.336 43.4-104.7 -59.6 135.3 46.9 -21.7 8.6 67 128 A G - 0 0 18 -4,-0.1 16,-1.9 15,-0.0 2,-0.4 -0.250 30.9-150.1 -64.4 152.9 45.3 -23.1 11.7 68 129 A F E +D 82 0A 26 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.973 20.0 174.6-126.4 137.5 42.1 -21.6 13.1 69 130 A Y E - 0 0 80 12,-2.7 2,-0.3 -2,-0.4 13,-0.1 0.782 59.3 -46.3-107.9 -46.1 41.0 -21.4 16.7 70 131 A G E -D 81 0A 6 11,-0.9 11,-2.7 -69,-0.1 -1,-0.4 -0.972 38.5-134.1-177.6 168.2 37.7 -19.4 16.8 71 132 A A E +D 80 0A 14 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 28.2 154.9-139.1 140.7 35.8 -16.4 15.7 72 133 A F E -D 79 0A 22 7,-1.3 7,-2.8 -2,-0.3 2,-0.4 -0.956 36.7-107.5-154.4 171.4 33.5 -14.0 17.6 73 134 A Y E +D 78 0A 63 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.901 30.4 171.9-112.1 132.2 32.2 -10.4 17.6 74 135 A S - 0 0 30 3,-2.2 -2,-0.0 -2,-0.4 -71,-0.0 -0.852 61.7 -37.9-145.5 107.7 33.3 -7.6 20.0 75 136 A D S S- 0 0 158 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.923 120.8 -31.3 43.0 77.3 32.3 -4.0 19.7 76 137 A G S S+ 0 0 16 -34,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.810 122.7 90.7 66.1 34.8 32.1 -3.1 16.0 77 138 A E - 0 0 48 -38,-0.3 -3,-2.2 2,-0.0 2,-0.3 -0.854 64.6-144.3-168.0 114.4 34.9 -5.5 15.1 78 139 A I E -CD 38 73A 5 -40,-3.3 -40,-3.2 -2,-0.3 2,-0.5 -0.675 21.4-144.4 -91.5 143.5 34.8 -9.1 14.1 79 140 A S E -CD 37 72A 0 -7,-2.8 -7,-1.3 -2,-0.3 2,-0.5 -0.928 18.1-175.8-119.4 123.9 37.6 -11.4 15.3 80 141 A I E -CD 36 71A 23 -44,-2.4 -44,-2.6 -2,-0.5 2,-0.5 -0.971 15.3-158.1-114.8 119.2 39.3 -14.3 13.6 81 142 A C E +CD 35 70A 0 -11,-2.7 -12,-2.7 -2,-0.5 -11,-0.9 -0.815 23.2 160.4-100.3 129.4 41.9 -16.1 15.8 82 143 A M E -CD 34 68A 20 -48,-3.5 -48,-3.3 -2,-0.5 -14,-0.2 -0.865 44.1 -63.1-142.8 170.2 44.6 -18.1 14.1 83 144 A E E -C 33 0A 27 -16,-1.9 2,-0.6 -2,-0.3 -50,-0.2 -0.322 50.2-127.2 -52.2 131.6 48.0 -19.8 14.3 84 145 A H - 0 0 44 -52,-0.7 2,-0.7 -60,-0.1 -1,-0.1 -0.799 19.7-156.3 -82.4 120.9 50.8 -17.2 14.8 85 146 A M > - 0 0 12 -2,-0.6 3,-1.1 1,-0.1 52,-0.2 -0.930 2.5-155.4-102.5 116.6 53.3 -17.8 12.1 86 147 A D T 3 S+ 0 0 86 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.335 85.4 58.0 -83.1 6.3 56.5 -16.4 13.5 87 148 A G T 3 S- 0 0 38 50,-1.6 -1,-0.3 1,-0.2 51,-0.2 0.540 95.9-143.0-107.3 -15.1 58.1 -15.8 10.1 88 149 A G E < -F 137 0B 14 -3,-1.1 49,-2.7 49,-0.6 2,-0.2 -0.345 36.2 -35.1 83.4-167.8 55.4 -13.5 8.7 89 150 A S E >> -F 136 0B 13 47,-0.2 4,-2.0 1,-0.1 3,-1.4 -0.617 53.4-112.3-100.2 153.4 54.1 -13.2 5.1 90 151 A L H 3> S+ 0 0 5 45,-2.2 4,-2.9 42,-1.1 43,-0.2 0.833 116.2 62.2 -56.7 -33.5 56.0 -13.6 2.0 91 152 A D H 3> S+ 0 0 40 41,-0.6 4,-1.9 2,-0.2 -1,-0.3 0.895 108.5 43.5 -57.0 -40.2 55.6 -9.9 1.1 92 153 A Q H <> S+ 0 0 86 -3,-1.4 4,-2.4 2,-0.2 5,-0.3 0.960 112.3 51.5 -65.4 -54.4 57.6 -9.2 4.4 93 154 A V H X S+ 0 0 45 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.866 110.8 49.9 -49.7 -42.9 60.2 -11.8 3.7 94 155 A L H X S+ 0 0 13 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.947 108.0 52.2 -63.5 -51.4 60.7 -10.4 0.2 95 156 A K H >< S+ 0 0 159 -4,-1.9 3,-0.9 1,-0.3 -2,-0.2 0.956 118.9 35.7 -48.7 -58.3 61.1 -6.8 1.4 96 157 A K H 3< S+ 0 0 196 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.690 122.7 48.8 -70.6 -16.0 63.8 -7.9 3.9 97 158 A A H 3< S- 0 0 52 -4,-1.2 2,-1.8 -5,-0.3 -1,-0.2 0.370 89.3-144.3-109.6 3.1 65.2 -10.5 1.5 98 159 A G S << S+ 0 0 48 -4,-1.2 2,-0.3 -3,-0.9 -1,-0.2 -0.472 77.0 0.5 70.0 -84.5 65.5 -8.5 -1.7 99 160 A R S S- 0 0 153 -2,-1.8 95,-0.2 -3,-0.1 94,-0.1 -0.987 74.9-124.7-132.9 147.9 64.5 -11.4 -4.1 100 161 A I - 0 0 10 93,-2.5 96,-0.1 -2,-0.3 5,-0.1 -0.837 34.2-111.1 -97.6 122.9 63.5 -15.0 -3.2 101 162 A P > - 0 0 72 0, 0.0 4,-2.7 0, 0.0 3,-0.3 -0.016 19.9-117.9 -48.4 145.2 65.6 -17.8 -4.9 102 163 A E H > S+ 0 0 31 1,-0.2 4,-0.7 2,-0.2 92,-0.1 0.827 113.5 55.3 -54.5 -35.9 64.1 -20.1 -7.5 103 164 A Q H > S+ 0 0 157 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.905 110.4 43.8 -70.8 -39.7 64.6 -23.1 -5.4 104 165 A I H > S+ 0 0 91 -3,-0.3 4,-2.9 1,-0.2 3,-0.5 0.926 107.6 57.4 -70.2 -43.8 62.7 -21.7 -2.5 105 166 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.758 102.9 60.8 -55.1 -20.4 59.9 -20.4 -4.7 106 167 A G H X S+ 0 0 0 -4,-0.7 4,-2.3 -5,-0.3 -1,-0.3 0.921 104.3 43.6 -74.9 -44.7 59.7 -24.0 -5.6 107 168 A K H X S+ 0 0 117 -4,-1.2 4,-2.1 -3,-0.5 -2,-0.2 0.908 114.6 52.7 -65.4 -38.2 58.9 -25.1 -2.1 108 169 A V H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.936 108.2 49.5 -62.0 -47.3 56.5 -22.1 -1.9 109 170 A S H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.940 107.2 54.2 -59.1 -48.0 54.7 -23.2 -5.1 110 171 A I H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.958 112.7 44.6 -48.5 -54.9 54.3 -26.8 -3.9 111 172 A A H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.893 112.9 49.4 -56.8 -46.8 52.6 -25.5 -0.8 112 173 A V H X S+ 0 0 2 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.962 114.9 43.3 -63.6 -49.2 50.4 -23.0 -2.5 113 174 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.886 114.8 49.6 -68.4 -32.5 49.1 -25.4 -5.1 114 175 A K H X S+ 0 0 77 -4,-2.6 4,-1.8 -5,-0.4 -1,-0.2 0.914 113.5 49.0 -65.6 -40.3 48.7 -28.2 -2.4 115 176 A G H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.927 110.8 48.4 -62.2 -49.7 46.8 -25.6 -0.3 116 177 A L H X S+ 0 0 7 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.943 112.1 48.2 -57.3 -47.7 44.6 -24.5 -3.2 117 178 A T H X S+ 0 0 29 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.832 108.8 54.5 -70.0 -30.3 43.7 -28.1 -4.1 118 179 A Y H X>S+ 0 0 37 -4,-1.8 4,-1.8 -5,-0.2 5,-0.7 0.961 109.0 47.1 -64.0 -48.1 42.9 -28.9 -0.6 119 180 A L H X5S+ 0 0 1 -4,-2.3 6,-2.0 3,-0.2 4,-0.5 0.828 116.8 47.2 -60.9 -30.8 40.5 -26.0 -0.3 120 181 A R H X5S+ 0 0 106 -4,-1.9 4,-2.0 4,-0.2 -2,-0.2 0.989 118.3 34.8 -73.8 -62.8 39.0 -27.1 -3.6 121 182 A E H <5S+ 0 0 127 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.945 127.6 33.4 -56.2 -59.7 38.5 -30.9 -3.1 122 183 A K H <5S+ 0 0 126 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.2 0.813 137.5 17.4 -74.2 -30.7 37.7 -31.0 0.7 123 184 A H H < S- 0 0 54 -2,-0.4 3,-3.0 57,-0.1 4,-0.4 -0.919 75.9 -73.7-177.0 164.2 49.3 -13.0 -3.1 132 193 A P G > S+ 0 0 2 0, 0.0 -42,-1.1 0, 0.0 3,-1.0 0.741 126.4 52.1 -42.7 -36.0 52.6 -12.7 -1.2 133 194 A S G 3 S+ 0 0 41 1,-0.2 -3,-0.1 -43,-0.2 -44,-0.0 0.586 104.4 55.7 -84.8 -10.0 51.0 -11.3 2.0 134 195 A N G < S+ 0 0 6 -3,-3.0 12,-2.6 -45,-0.1 2,-0.6 0.270 92.4 80.6-101.2 8.5 48.3 -14.1 2.3 135 196 A I E < - G 0 145B 3 -3,-1.0 -45,-2.2 -4,-0.4 2,-0.3 -0.967 69.9-164.9-112.5 111.8 51.0 -16.8 2.2 136 197 A L E -FG 89 144B 26 8,-2.7 8,-2.5 -2,-0.6 2,-0.3 -0.759 5.3-161.8-102.3 145.9 52.5 -17.2 5.7 137 198 A V E -FG 88 143B 26 -49,-2.7 -50,-1.6 -2,-0.3 -49,-0.6 -0.908 3.4-160.7-120.9 153.4 55.7 -18.9 6.7 138 199 A N E >> - G 0 142B 8 4,-1.9 3,-2.5 -2,-0.3 4,-0.5 -0.933 35.9-103.8-133.6 163.2 57.0 -20.2 10.1 139 200 A S T 34 S+ 0 0 91 1,-0.3 -54,-0.0 -2,-0.3 -1,-0.0 0.632 116.6 66.9 -59.7 -18.2 60.3 -21.2 11.7 140 201 A R T 34 S- 0 0 158 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.302 121.9-108.2 -81.3 10.8 59.4 -24.9 11.3 141 202 A G T <4 + 0 0 39 -3,-2.5 2,-0.2 1,-0.2 -2,-0.2 0.693 70.0 150.3 71.8 18.9 59.7 -24.2 7.6 142 203 A E E < - G 0 138B 54 -4,-0.5 -4,-1.9 -31,-0.0 2,-0.4 -0.551 32.3-160.9 -81.9 150.9 56.0 -24.4 7.1 143 204 A I E + G 0 137B 18 -80,-0.4 2,-0.2 -6,-0.2 -6,-0.2 -0.868 20.3 174.3-135.3 99.6 54.3 -22.4 4.3 144 205 A K E - G 0 136B 12 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.4 -0.707 26.0-127.6-115.0 159.0 50.6 -22.0 4.7 145 206 A L E +eG 65 135B 1 -81,-2.4 -79,-2.3 -2,-0.2 2,-0.2 -0.803 30.2 169.8 -99.6 140.7 47.7 -20.1 3.1 146 207 A C + 0 0 8 -12,-2.6 -17,-0.1 -2,-0.4 -79,-0.0 -0.820 47.4 49.3-135.9-175.8 45.3 -17.8 4.8 147 208 A D S S+ 0 0 57 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.891 70.4 155.6 54.3 45.9 42.5 -15.2 4.1 148 209 A F - 0 0 20 -3,-0.1 2,-1.8 -20,-0.1 3,-0.2 -0.653 54.7 -90.9-100.9 164.8 40.7 -17.4 1.7 149 210 A G + 0 0 16 -22,-1.4 -23,-0.2 -23,-0.7 3,-0.1 -0.459 65.4 139.1 -88.0 76.5 37.0 -17.1 1.0 150 211 A V + 0 0 27 -2,-1.8 2,-0.5 1,-0.2 -1,-0.2 0.660 66.5 54.2 -83.9 -21.0 35.1 -19.3 3.4 151 212 A S > - 0 0 3 -3,-0.2 4,-2.1 1,-0.2 3,-0.3 -0.916 58.0-168.4-125.1 108.2 32.3 -16.9 4.2 152 213 A G H > S+ 0 0 43 -2,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.922 92.1 53.9 -55.0 -44.1 30.3 -15.4 1.3 153 214 A Q H > S+ 0 0 45 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.846 106.2 50.3 -64.1 -37.7 28.7 -12.9 3.7 154 215 A L H > S+ 0 0 20 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.873 108.9 52.1 -71.1 -36.0 32.1 -11.6 5.0 155 216 A I H >< S+ 0 0 73 -4,-2.1 3,-0.7 2,-0.2 -2,-0.2 0.984 113.3 47.0 -58.9 -52.6 33.2 -11.2 1.4 156 217 A D H >< S+ 0 0 106 -4,-2.7 3,-3.4 1,-0.2 -2,-0.2 0.956 108.9 50.7 -44.9 -67.0 30.0 -9.2 0.8 157 218 A S H 3< S+ 0 0 27 -4,-3.2 3,-0.3 1,-0.3 -1,-0.2 0.736 110.9 53.0 -52.5 -20.2 30.2 -7.0 3.9 158 219 A M T << + 0 0 62 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.215 63.3 129.7-104.2 15.3 33.7 -6.2 2.8 159 220 A A < 0 0 87 -3,-3.4 -1,-0.2 1,-0.3 -2,-0.1 0.754 360.0 360.0 -34.9 -31.2 32.8 -5.1 -0.7 160 221 A N 0 0 183 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.496 360.0 360.0 -95.6 360.0 34.9 -2.1 0.3 161 ! 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 0.0 162 225 A G 0 0 92 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.8 44.7 0.2 -4.0 163 226 A T + 0 0 118 1,-0.0 2,-0.1 48,-0.0 48,-0.0 0.993 360.0 39.4 -68.5 -78.9 48.1 0.2 -5.9 164 227 A R - 0 0 119 2,-0.0 2,-0.4 47,-0.0 -1,-0.0 -0.428 65.1-163.7 -78.4 146.3 49.0 -3.4 -6.9 165 228 A S - 0 0 17 -2,-0.1 -2,-0.0 2,-0.1 -1,-0.0 -0.999 20.0-178.0-129.8 139.3 46.5 -6.0 -8.1 166 229 A Y + 0 0 26 -2,-0.4 2,-0.2 2,-0.0 -36,-0.1 0.009 48.6 126.1-113.2 20.3 46.9 -9.7 -8.3 167 230 A M - 0 0 66 1,-0.1 -2,-0.1 17,-0.1 15,-0.1 -0.582 63.7-110.7 -82.4 147.0 43.5 -10.1 -9.8 168 231 A S > - 0 0 0 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.282 24.6-109.0 -77.3 159.7 43.2 -12.0 -13.1 169 232 A P H > S+ 0 0 3 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.888 120.5 47.4 -52.8 -39.5 42.3 -10.4 -16.4 170 233 A E H > S+ 0 0 15 72,-0.3 4,-1.5 2,-0.2 6,-0.3 0.831 111.1 48.3 -79.1 -30.4 38.9 -12.2 -16.3 171 234 A R H 4 S+ 0 0 66 -3,-0.2 -1,-0.2 1,-0.2 6,-0.1 0.862 111.8 51.4 -74.2 -36.1 38.1 -11.2 -12.7 172 235 A L H < S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.844 112.1 48.5 -63.0 -33.1 39.1 -7.7 -13.4 173 236 A Q H < S- 0 0 140 -4,-1.4 2,-0.3 -5,-0.3 -2,-0.2 0.791 123.5 -39.6 -85.0 -29.5 36.8 -7.7 -16.5 174 237 A G < - 0 0 34 -4,-1.5 -1,-0.1 -5,-0.1 0, 0.0 -0.917 67.6 -73.5-170.0-165.7 33.5 -9.1 -15.1 175 238 A T S S+ 0 0 130 -2,-0.3 2,-1.8 1,-0.1 -4,-0.1 0.327 92.6 106.6 -92.6 6.6 31.9 -11.7 -12.8 176 239 A H + 0 0 177 -6,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.474 59.3 100.0 -84.6 67.3 32.8 -14.5 -15.3 177 240 A Y + 0 0 66 -2,-1.8 2,-0.2 -6,-0.1 -2,-0.0 -0.906 37.0 155.6-143.6 172.0 35.6 -16.0 -13.2 178 241 A S > - 0 0 61 -2,-0.3 3,-3.0 -50,-0.0 4,-0.4 -0.811 62.1 -24.7-168.2-148.4 36.3 -18.8 -10.8 179 242 A V T >> S+ 0 0 23 1,-0.3 3,-1.6 -2,-0.2 4,-0.7 0.812 121.5 67.5 -56.5 -29.9 38.9 -21.1 -9.3 180 243 A Q H >> S+ 0 0 33 1,-0.3 4,-1.0 2,-0.2 3,-0.7 0.800 87.4 70.5 -59.6 -26.6 41.1 -20.6 -12.3 181 244 A S H <> S+ 0 0 2 -3,-3.0 4,-1.6 1,-0.2 -1,-0.3 0.829 89.1 59.5 -60.3 -32.4 41.5 -17.1 -11.2 182 245 A D H <> S+ 0 0 6 -3,-1.6 4,-2.6 -4,-0.4 -1,-0.2 0.858 97.3 61.3 -64.3 -33.3 43.7 -18.1 -8.2 183 246 A I H S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.6 0.959 113.6 45.0 -57.6 -51.5 57.0 -10.8 -8.1 193 256 A M H <5S+ 0 0 2 -4,-2.7 -93,-2.5 1,-0.2 -1,-0.2 0.847 110.6 55.9 -67.2 -32.8 59.0 -12.8 -5.5 194 257 A A H <5S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.942 118.9 29.2 -60.0 -50.9 61.5 -14.0 -8.2 195 258 A V H <5S- 0 0 26 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.675 102.5-124.5 -93.0 -16.0 62.5 -10.5 -9.4 196 259 A G T <5S+ 0 0 29 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.454 81.6 78.4 91.5 2.5 61.9 -8.6 -6.2 197 260 A R S - 0 0 65 -2,-0.4 4,-3.2 1,-0.1 5,-0.2 -0.245 35.6 -96.7 -74.6 160.3 48.3 4.9 -12.1 208 310 A I H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.682 119.8 36.3 -46.4 -40.8 45.2 2.7 -11.6 209 311 A F H > S+ 0 0 142 2,-0.2 4,-3.6 3,-0.2 5,-0.5 0.918 114.0 54.6 -85.0 -51.9 44.0 2.5 -15.1 210 312 A E H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.949 117.2 41.8 -34.2 -61.8 47.3 2.4 -16.8 211 313 A L H >X S+ 0 0 6 -4,-3.2 4,-2.0 1,-0.2 3,-0.5 0.957 116.7 43.7 -53.7 -64.7 47.9 -0.5 -14.4 212 314 A L H 3X S+ 0 0 52 -4,-2.3 4,-1.0 1,-0.3 -1,-0.2 0.802 114.5 52.2 -56.8 -29.9 44.6 -2.3 -14.7 213 315 A D H 3X>S+ 0 0 50 -4,-3.6 4,-2.5 2,-0.2 5,-0.6 0.853 105.3 55.3 -77.0 -35.3 44.6 -1.8 -18.5 214 316 A Y H - 0 0 29 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.140 31.5-119.7 -56.7 150.2 65.5 -22.4 -15.3 230 332 A L H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.785 115.0 57.8 -60.0 -27.0 63.4 -23.2 -18.4 231 333 A E H > S+ 0 0 85 2,-0.2 4,-1.4 1,-0.2 27,-0.4 0.860 104.1 48.0 -75.1 -39.1 61.2 -25.2 -16.1 232 334 A F H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.930 112.1 52.8 -61.2 -47.6 60.4 -22.3 -13.8 233 335 A Q H X S+ 0 0 30 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.964 108.3 47.0 -51.6 -58.9 59.7 -20.2 -16.9 234 336 A D H X S+ 0 0 65 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.828 111.7 53.9 -56.8 -31.8 57.2 -22.7 -18.4 235 337 A F H X S+ 0 0 0 -4,-1.4 4,-0.9 2,-0.2 3,-0.4 0.975 112.8 39.7 -67.4 -58.4 55.5 -23.0 -15.0 236 338 A V H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-1.1 0.923 113.6 57.0 -52.9 -47.8 54.9 -19.3 -14.5 237 339 A N H 3< S+ 0 0 56 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.847 104.6 51.5 -56.3 -34.4 54.0 -19.0 -18.2 238 340 A K H 3< S+ 0 0 78 -4,-1.6 10,-2.9 -3,-0.4 3,-0.3 0.682 111.4 47.9 -81.1 -16.5 51.3 -21.6 -17.8 239 341 A C H << S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.842 108.2 54.1 -82.6 -40.4 49.8 -19.7 -14.9 240 342 A L S < S+ 0 0 2 -4,-2.3 2,-0.7 -5,-0.1 -1,-0.2 0.086 70.5 131.4 -90.4 23.9 49.8 -16.3 -16.5 241 343 A I - 0 0 51 -3,-0.3 6,-0.2 1,-0.2 -57,-0.1 -0.675 58.4-137.3 -79.3 119.0 47.9 -17.2 -19.7 242 344 A K S S+ 0 0 58 -2,-0.7 -72,-0.3 4,-0.1 -1,-0.2 0.867 83.9 81.7 -39.5 -50.0 45.2 -14.5 -20.1 243 345 A N > - 0 0 66 1,-0.1 4,-2.8 -74,-0.1 -2,-0.1 -0.411 69.4-152.4 -71.4 121.3 42.6 -17.1 -21.0 244 346 A P T 4 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.898 95.4 45.3 -55.3 -45.3 41.1 -18.9 -18.0 245 347 A A T 4 S+ 0 0 90 1,-0.2 4,-0.1 4,-0.0 -2,-0.1 0.894 117.4 43.0 -71.5 -40.5 40.3 -22.1 -20.0 246 348 A E T 4 S+ 0 0 130 2,-0.1 -1,-0.2 -5,-0.0 3,-0.1 0.868 95.9 98.3 -70.0 -37.8 43.7 -22.3 -21.7 247 349 A R S < S- 0 0 4 -4,-2.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.126 91.6 -90.0 -51.6 143.8 45.5 -21.4 -18.4 248 350 A A - 0 0 3 -10,-2.9 2,-0.2 -13,-0.1 -1,-0.1 -0.259 42.1-144.5 -55.6 137.5 46.9 -24.4 -16.4 249 351 A D > - 0 0 37 -3,-0.1 4,-1.7 -4,-0.1 5,-0.2 -0.445 30.4 -93.9 -97.6-177.5 44.5 -25.9 -13.9 250 352 A L H > S+ 0 0 17 1,-0.2 4,-1.2 2,-0.2 -133,-0.1 0.838 121.2 52.6 -72.0 -37.5 45.5 -27.3 -10.5 251 353 A K H > S+ 0 0 155 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.939 108.9 50.6 -59.1 -48.7 45.8 -30.9 -11.7 252 354 A Q H 4 S+ 0 0 113 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.878 108.7 50.1 -64.2 -39.3 48.2 -30.0 -14.5 253 355 A L H >< S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.2 6,-0.3 0.778 100.6 65.2 -69.3 -27.1 50.5 -27.9 -12.3 254 356 A M H 3< S+ 0 0 56 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.850 111.4 35.6 -62.9 -33.9 50.8 -30.8 -9.7 255 357 A V T 3< S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.005 91.9 127.9-109.0 25.9 52.5 -33.0 -12.3 256 358 A H S <> S- 0 0 20 -3,-1.3 4,-2.0 1,-0.1 5,-0.2 -0.444 70.1-114.6 -80.0 157.6 54.5 -30.1 -14.0 257 359 A A H > S+ 0 0 46 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.920 109.4 58.3 -57.6 -47.4 58.2 -30.4 -14.5 258 360 A F H > S+ 0 0 0 -27,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.885 111.6 39.1 -56.0 -45.9 59.2 -27.6 -12.1 259 361 A I H 4 S+ 0 0 21 -6,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.891 111.7 58.4 -74.7 -36.9 57.5 -29.0 -9.0 260 362 A K H < S+ 0 0 145 -4,-2.0 -2,-0.2 2,-0.3 -1,-0.2 0.967 107.5 47.3 -52.1 -51.5 58.6 -32.5 -9.9 261 363 A R H < 0 0 105 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.855 360.0 360.0 -57.1 -31.3 62.1 -31.2 -9.8 262 364 A S < 0 0 63 -4,-1.2 -2,-0.3 -5,-0.3 -3,-0.2 0.855 360.0 360.0 -92.3 360.0 61.0 -29.6 -6.5