==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-NOV-10 3PP1 . COMPND 2 MOLECULE: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DOUGAN . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 66.7 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 . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 2 1 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 . 1 0 1 0 1 0 3 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 61 A M 0 0 155 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.7 -43.8 26.8 24.1 2 62 A E - 0 0 181 69,-0.0 2,-0.3 1,-0.0 69,-0.1 -0.534 360.0-132.1 -73.0 139.0 -42.1 30.0 22.8 3 63 A L + 0 0 23 -2,-0.2 2,-0.3 67,-0.1 69,-0.1 -0.773 28.0 176.9 -94.3 141.6 -38.4 29.8 22.4 4 64 A K > - 0 0 105 -2,-0.3 3,-1.6 69,-0.1 4,-0.2 -0.985 39.7-107.4-143.9 155.5 -36.0 32.5 23.8 5 65 A D G > S+ 0 0 63 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.772 113.3 51.8 -52.2 -41.0 -32.2 33.1 24.0 6 66 A D G 3 S+ 0 0 103 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.678 97.9 66.9 -77.1 -14.5 -31.8 32.5 27.7 7 67 A D G < S+ 0 0 37 -3,-1.6 21,-2.2 21,-0.1 -1,-0.3 0.456 94.3 80.0 -81.8 1.3 -33.5 29.1 27.5 8 68 A F E < -A 27 0A 15 -3,-1.3 2,-0.3 19,-0.2 19,-0.2 -0.662 55.4-167.7-108.3 162.1 -30.6 27.8 25.4 9 69 A E E -A 26 0A 113 17,-1.4 17,-2.6 -2,-0.2 -3,-0.0 -0.916 26.4-119.3-151.9 120.4 -27.1 26.4 26.0 10 70 A K E +A 25 0A 143 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.306 30.3 170.9 -60.6 135.7 -24.4 25.8 23.4 11 71 A I E - 0 0 86 13,-2.7 2,-0.3 1,-0.5 14,-0.2 0.737 64.0 -37.8-105.2 -51.3 -23.1 22.2 23.1 12 72 A S E -A 24 0A 53 12,-1.7 12,-2.8 0, 0.0 -1,-0.5 -0.945 60.2 -93.6-163.6 173.0 -21.0 22.5 20.0 13 73 A E E -A 23 0A 117 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.903 22.7-167.2-104.5 129.0 -20.8 24.1 16.5 14 74 A L E - 0 0 63 8,-2.5 2,-0.2 -2,-0.5 9,-0.2 0.654 57.1 -76.1 -89.4 -18.4 -22.2 22.1 13.6 15 75 A G E -A 22 0A 33 7,-1.2 7,-2.7 2,-0.0 -1,-0.4 -0.781 39.4-117.5 145.3 174.7 -20.7 24.4 10.9 16 76 A A E +A 21 0A 68 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.953 20.1 177.5-141.6 158.4 -21.1 27.7 9.1 17 77 A G - 0 0 57 3,-2.3 2,-0.8 -2,-0.3 -2,-0.0 -0.294 56.5 -37.0-128.6-142.6 -21.8 28.9 5.6 18 78 A N S S- 0 0 101 1,-0.2 146,-0.1 -2,-0.1 3,-0.1 -0.857 126.5 -9.9 -91.6 110.0 -22.2 32.3 4.0 19 79 A G S S+ 0 0 44 -2,-0.8 21,-0.5 1,-0.1 2,-0.3 0.414 122.3 74.7 87.3 0.5 -24.1 34.6 6.3 20 80 A G - 0 0 10 19,-0.2 -3,-2.3 2,-0.0 2,-0.4 -0.998 52.4-162.9-146.7 141.7 -25.1 31.9 8.9 21 81 A V E -AB 16 38A 53 17,-2.4 17,-3.8 -2,-0.3 2,-0.5 -0.962 14.3-150.2-121.4 144.8 -23.7 29.8 11.7 22 82 A V E -AB 15 37A 29 -7,-2.7 -8,-2.5 -2,-0.4 -7,-1.2 -0.951 10.3-170.0-123.1 124.3 -25.2 26.7 13.2 23 83 A F E -AB 13 36A 25 13,-3.1 13,-2.9 -2,-0.5 2,-0.6 -0.830 24.6-131.0-107.2 145.4 -24.9 25.4 16.7 24 84 A K E +AB 12 35A 60 -12,-2.8 -13,-2.7 -2,-0.3 -12,-1.7 -0.887 47.0 176.4 -85.7 122.1 -25.9 22.2 18.3 25 85 A V E -AB 10 34A 2 9,-3.2 9,-2.9 -2,-0.6 2,-0.5 -0.899 35.5-127.9-133.1 158.2 -27.8 23.4 21.4 26 86 A S E -AB 9 33A 25 -17,-2.6 -17,-1.4 -2,-0.3 2,-1.0 -0.930 16.7-146.6-102.7 126.2 -29.7 22.2 24.4 27 87 A H E >>> -AB 8 32A 4 5,-2.5 4,-2.8 -2,-0.5 3,-0.7 -0.840 19.0-153.9 -88.3 101.6 -33.1 23.9 24.9 28 88 A K T 345S+ 0 0 116 -21,-2.2 -1,-0.2 -2,-1.0 -20,-0.1 0.833 82.3 51.7 -55.2 -43.9 -33.1 23.8 28.7 29 89 A P T 345S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.877 123.3 28.7 -69.0 -30.2 -36.8 23.8 29.6 30 90 A S T <45S- 0 0 61 -3,-0.7 -2,-0.2 2,-0.1 3,-0.1 0.727 95.1-134.3 -94.2 -25.3 -37.7 20.9 27.2 31 91 A G T <5 + 0 0 52 -4,-2.8 -3,-0.2 1,-0.3 2,-0.1 0.393 56.4 144.7 82.7 -2.0 -34.3 19.1 27.4 32 92 A L E < -B 27 0A 77 -5,-0.5 -5,-2.5 -6,-0.1 2,-0.5 -0.410 50.7-129.0 -70.9 142.8 -34.5 18.7 23.6 33 93 A V E +B 26 0A 61 -7,-0.2 52,-0.6 -3,-0.1 2,-0.3 -0.795 38.0 173.6 -87.2 131.0 -31.4 18.8 21.5 34 94 A M E -BC 25 84A 2 -9,-2.9 -9,-3.2 -2,-0.5 2,-0.6 -0.868 36.7-120.2-133.7 167.9 -31.8 21.3 18.6 35 95 A A E -BC 24 83A 7 48,-2.8 48,-2.9 -2,-0.3 2,-0.6 -0.968 29.4-162.2-108.5 113.3 -29.8 23.0 15.8 36 96 A R E -BC 23 82A 21 -13,-2.9 -13,-3.1 -2,-0.6 2,-0.5 -0.915 1.6-160.6-102.9 115.4 -29.8 26.7 16.3 37 97 A K E -BC 22 81A 38 44,-3.1 44,-2.2 -2,-0.6 2,-0.5 -0.840 4.2-157.9 -94.1 125.7 -28.9 28.7 13.1 38 98 A L E -BC 21 80A 22 -17,-3.8 -17,-2.4 -2,-0.5 2,-0.6 -0.908 7.0-168.4-105.4 127.5 -27.8 32.3 13.6 39 99 A I E - C 0 79A 12 40,-2.3 40,-2.4 -2,-0.5 2,-1.0 -0.954 19.9-139.9-111.2 112.0 -28.0 34.9 10.8 40 100 A H E + C 0 78A 129 -2,-0.6 2,-0.4 -21,-0.5 38,-0.2 -0.593 36.3 161.4 -72.5 103.2 -26.2 38.0 11.8 41 101 A L - 0 0 24 36,-1.2 2,-0.6 -2,-1.0 -2,-0.1 -0.992 28.6-169.2-126.8 129.2 -28.3 40.9 10.5 42 102 A E + 0 0 175 -2,-0.4 2,-0.3 36,-0.0 -2,-0.0 -0.979 40.9 135.3-104.7 112.6 -28.1 44.5 11.5 43 103 A I - 0 0 60 -2,-0.6 5,-0.1 0, 0.0 -2,-0.1 -0.963 62.7 -67.7-158.4 156.1 -31.3 45.9 10.0 44 104 A K >> - 0 0 128 -2,-0.3 4,-1.8 1,-0.1 3,-1.1 -0.244 42.3-124.5 -58.9 136.1 -34.1 48.2 11.1 45 105 A P H 3> S+ 0 0 77 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.818 106.0 66.8 -45.9 -37.2 -36.4 46.7 13.8 46 106 A A H 3> S+ 0 0 69 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.878 109.7 32.5 -55.5 -46.1 -39.4 47.3 11.5 47 107 A I H <> S+ 0 0 24 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.771 111.8 61.1 -86.2 -28.3 -38.4 44.8 8.9 48 108 A R H X S+ 0 0 54 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.677 104.1 53.0 -74.0 -14.7 -36.7 42.3 11.2 49 109 A N H X S+ 0 0 70 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.826 106.7 52.5 -76.3 -38.1 -40.0 42.0 12.9 50 110 A Q H X S+ 0 0 63 -4,-0.7 4,-3.2 -5,-0.2 -2,-0.2 0.866 107.5 52.2 -62.3 -39.2 -41.4 41.3 9.5 51 111 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.953 110.9 44.8 -64.1 -50.7 -38.8 38.6 9.0 52 112 A I H X S+ 0 0 32 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.891 114.7 52.0 -61.1 -35.8 -39.7 36.8 12.3 53 113 A R H >< S+ 0 0 153 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.958 111.4 44.7 -62.8 -53.4 -43.3 37.2 11.3 54 114 A E H >< S+ 0 0 62 -4,-3.2 3,-1.1 1,-0.2 -2,-0.2 0.795 107.1 61.4 -61.0 -31.6 -42.8 35.6 7.9 55 115 A L H >< S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.675 82.5 80.4 -71.9 -17.9 -40.7 32.8 9.4 56 116 A Q G X< S+ 0 0 65 -3,-1.1 3,-1.4 -4,-0.7 -1,-0.2 0.578 71.7 79.5 -69.0 -9.0 -43.6 31.6 11.6 57 117 A V G X S+ 0 0 63 -3,-1.1 3,-1.5 1,-0.3 -1,-0.3 0.676 73.8 77.9 -70.2 -14.6 -45.1 29.7 8.6 58 118 A L G < S+ 0 0 17 -3,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.598 79.9 69.5 -69.5 -11.2 -42.5 27.0 9.2 59 119 A H G < S+ 0 0 85 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.713 97.6 51.7 -73.0 -25.0 -44.8 25.9 12.1 60 120 A E S < S+ 0 0 128 -3,-1.5 2,-1.1 -4,-0.2 -1,-0.2 0.481 85.7 99.7 -88.8 -8.1 -47.2 24.8 9.3 61 121 A C + 0 0 10 -3,-0.3 2,-0.5 -4,-0.3 8,-0.3 -0.746 43.3 157.4 -81.9 98.7 -44.4 22.8 7.6 62 122 A N + 0 0 123 -2,-1.1 5,-0.1 6,-0.1 6,-0.1 -0.977 17.7 128.0-122.8 111.4 -45.0 19.2 8.7 63 123 A S > - 0 0 23 -2,-0.5 3,-1.4 3,-0.4 53,-0.0 -0.935 61.4-129.4-162.8 141.4 -43.5 16.7 6.3 64 124 A P T 3 S+ 0 0 80 0, 0.0 80,-0.2 0, 0.0 52,-0.1 0.539 112.4 52.6 -70.2 -5.2 -41.2 13.7 6.6 65 125 A Y T 3 S+ 0 0 70 50,-0.1 81,-2.8 80,-0.1 2,-0.4 0.255 100.1 71.0-110.9 8.4 -39.0 15.3 3.9 66 126 A I B < S-e 146 0B 4 -3,-1.4 -3,-0.4 79,-0.3 81,-0.2 -0.985 90.7-105.7-128.3 134.9 -38.6 18.7 5.5 67 127 A V - 0 0 11 79,-2.4 -2,-0.1 -2,-0.4 -6,-0.1 -0.340 44.2-106.1 -57.6 134.7 -36.5 19.4 8.6 68 128 A G - 0 0 24 -4,-0.1 16,-2.0 -6,-0.1 2,-0.4 -0.302 31.5-144.3 -62.7 149.9 -38.6 19.9 11.7 69 129 A F E +D 83 0A 29 -8,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.960 21.6 178.6-122.6 133.9 -38.9 23.5 13.0 70 130 A Y E - 0 0 87 12,-3.5 2,-0.2 -2,-0.4 13,-0.2 0.733 58.5 -62.5-103.3 -32.1 -39.1 24.5 16.6 71 131 A G E -D 82 0A 4 11,-1.2 11,-2.4 -69,-0.1 2,-0.4 -0.851 35.8-118.2 160.8 167.2 -39.3 28.3 16.4 72 132 A A E +D 81 0A 12 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.994 32.4 150.0-136.0 138.6 -37.8 31.7 15.3 73 133 A F E -D 80 0A 23 7,-1.6 7,-3.3 -2,-0.4 2,-0.4 -0.895 37.6-109.2-151.8 176.1 -36.8 34.8 17.3 74 134 A Y E +D 79 0A 75 -2,-0.3 5,-0.2 5,-0.2 -69,-0.2 -0.958 36.7 162.6-119.7 138.4 -34.4 37.8 17.4 75 135 A S - 0 0 23 3,-2.5 2,-2.0 -2,-0.4 -1,-0.1 0.106 58.6 -15.6-124.7-130.7 -31.5 38.2 19.9 76 136 A D S S- 0 0 135 1,-0.2 3,-0.1 -2,-0.0 -1,-0.0 -0.523 128.4 -43.4 -85.0 73.6 -28.3 40.2 20.3 77 137 A G S S+ 0 0 17 -2,-2.0 -36,-1.2 1,-0.2 2,-0.4 0.520 120.2 107.5 80.6 7.2 -28.1 41.3 16.6 78 138 A E E -C 40 0A 46 -38,-0.2 -3,-2.5 -36,-0.0 2,-0.5 -0.958 63.8-138.8-128.6 133.0 -29.1 37.8 15.4 79 139 A I E -CD 39 74A 2 -40,-2.4 -40,-2.3 -2,-0.4 2,-0.5 -0.752 29.1-152.0 -77.9 124.2 -32.1 36.0 13.8 80 140 A S E -CD 38 73A 0 -7,-3.3 -7,-1.6 -2,-0.5 2,-0.5 -0.880 15.9-176.4-102.8 130.1 -32.4 32.6 15.4 81 141 A I E -CD 37 72A 21 -44,-2.2 -44,-3.1 -2,-0.5 2,-0.6 -0.989 11.7-158.6-122.7 120.0 -33.9 29.7 13.5 82 142 A C E +CD 36 71A 0 -11,-2.4 -12,-3.5 -2,-0.5 -11,-1.2 -0.886 18.8 168.9-108.5 115.3 -34.2 26.5 15.6 83 143 A M E -CD 35 69A 21 -48,-2.9 -48,-2.8 -2,-0.6 -14,-0.2 -0.656 42.9 -77.4-113.1 167.5 -34.6 23.2 13.8 84 144 A E E -C 34 0A 36 -16,-2.0 2,-0.6 -2,-0.2 -50,-0.2 -0.394 51.4-116.3 -52.7 136.6 -34.5 19.5 14.5 85 145 A H - 0 0 45 -52,-0.6 2,-0.8 -2,-0.1 -1,-0.1 -0.783 22.8-154.0 -86.1 117.6 -30.9 18.3 14.9 86 146 A M > - 0 0 13 -2,-0.6 3,-2.0 1,-0.1 52,-0.2 -0.849 2.3-159.7 -98.0 109.2 -30.0 15.9 12.2 87 147 A D T 3 S+ 0 0 63 -2,-0.8 52,-0.2 1,-0.3 -1,-0.1 0.557 86.7 56.2 -74.1 -10.3 -27.3 13.7 13.6 88 148 A G T 3 S- 0 0 6 50,-1.2 -1,-0.3 1,-0.3 51,-0.2 0.373 98.3-148.6 -96.6 0.2 -26.0 12.4 10.3 89 149 A G < - 0 0 16 -3,-2.0 49,-2.8 49,-0.2 -1,-0.3 -0.204 36.3 -30.8 67.6-156.5 -25.4 16.0 9.0 90 150 A S B > -F 137 0B 9 47,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.529 52.5-113.1 -99.0 164.3 -25.7 17.1 5.4 91 151 A L H > S+ 0 0 2 45,-2.1 4,-2.6 42,-1.4 43,-0.2 0.770 116.7 58.6 -69.1 -25.9 -25.0 15.3 2.2 92 152 A D H > S+ 0 0 35 41,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.873 109.4 45.1 -67.3 -35.6 -22.0 17.5 1.5 93 153 A Q H > S+ 0 0 87 -3,-0.2 4,-1.7 40,-0.2 -2,-0.2 0.845 113.9 49.6 -70.3 -37.6 -20.5 16.3 4.8 94 154 A V H X S+ 0 0 1 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.889 110.9 48.4 -68.2 -42.4 -21.5 12.8 4.0 95 155 A L H X S+ 0 0 13 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.861 106.0 60.5 -63.8 -36.3 -19.9 13.0 0.5 96 156 A K H < S+ 0 0 158 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.946 116.6 29.9 -56.3 -51.9 -16.8 14.5 2.1 97 157 A K H < S+ 0 0 156 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 122.1 50.2 -73.3 -44.6 -16.3 11.3 4.2 98 158 A A H < S- 0 0 34 -4,-3.2 2,-1.6 -5,-0.2 -2,-0.2 0.608 88.4-149.8 -72.3 -16.6 -17.8 8.8 1.7 99 159 A G S < S+ 0 0 43 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.1 -0.125 76.0 11.9 75.8 -42.6 -15.8 10.1 -1.2 100 160 A R S S- 0 0 92 -2,-1.6 97,-0.2 -6,-0.1 96,-0.1 -0.931 79.0-126.3-168.6 137.3 -18.5 9.2 -3.7 101 161 A I - 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0 0 103 1,-0.1 4,-1.6 -2,-0.1 5,-0.1 -0.129 33.9-102.0 -64.0 170.5 -10.9 14.8 -18.8 208 268 A A H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.903 128.2 44.9 -57.7 -40.5 -11.0 11.4 -20.5 209 269 A K H > S+ 0 0 168 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.840 108.1 54.2 -75.4 -37.2 -7.9 10.6 -18.4 210 270 A E H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.835 107.1 56.1 -65.4 -31.0 -9.3 12.1 -15.1 211 271 A L H X S+ 0 0 52 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.952 105.1 46.6 -64.5 -55.1 -12.3 9.8 -15.6 212 272 A E H < S+ 0 0 156 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.796 112.8 52.5 -61.5 -30.5 -10.5 6.4 -15.8 213 273 A L H < S+ 0 0 154 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 107.9 50.8 -69.8 -41.3 -8.4 7.5 -12.7 214 274 A M H < 0 0 40 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.897 360.0 360.0 -60.2 -42.3 -11.7 8.3 -10.8 215 275 A F < 0 0 98 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.724 360.0 360.0-118.7 360.0 -13.1 4.8 -11.7 216 ! 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 0.0 217 307 A P 0 0 188 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.3 -9.4 26.3 -9.5 218 308 A M - 0 0 58 2,-0.0 2,-0.2 -14,-0.0 3,-0.0 -0.791 360.0-118.7-110.8 153.2 -11.7 28.4 -11.7 219 309 A A > - 0 0 59 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.551 31.9-109.1 -88.8 157.5 -12.5 32.2 -11.8 220 310 A I H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 115.8 39.2 -59.1 -52.2 -16.1 33.5 -11.2 221 311 A F H > S+ 0 0 157 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.913 114.5 56.7 -62.9 -42.6 -17.1 34.6 -14.7 222 312 A E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.909 110.8 42.9 -53.3 -48.0 -15.3 31.5 -16.2 223 313 A L H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.941 117.1 45.4 -66.3 -47.6 -17.4 29.2 -14.1 224 314 A L H X S+ 0 0 54 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 110.7 53.3 -66.0 -42.6 -20.7 31.0 -14.6 225 315 A D H X>S+ 0 0 56 -4,-3.7 4,-2.8 1,-0.2 5,-0.7 0.881 106.8 54.5 -58.3 -38.9 -20.0 31.3 -18.4 226 316 A Y H X5S+ 0 0 52 -4,-1.8 4,-0.9 -5,-0.3 -2,-0.2 0.937 108.5 47.4 -59.9 -47.0 -19.5 27.6 -18.4 227 317 A I H <5S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.914 118.8 41.1 -58.7 -42.7 -23.0 27.0 -16.8 228 318 A V H <5S+ 0 0 26 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.947 129.1 16.5 -75.0 -51.5 -24.7 29.4 -19.2 229 319 A N H <5S+ 0 0 107 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.837 104.3 75.3-101.4 -35.7 -23.2 28.7 -22.6 230 320 A E S < - 0 0 33 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.112 28.8-120.3 -48.4 148.7 -27.4 2.8 -15.2 242 332 A L H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.677 112.7 62.3 -70.9 -19.4 -29.0 4.5 -18.2 243 333 A E H > S+ 0 0 79 2,-0.2 4,-2.4 3,-0.2 27,-0.4 0.918 107.5 43.5 -66.8 -43.9 -32.1 5.2 -16.2 244 334 A F H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 113.5 50.6 -69.9 -43.2 -30.0 7.3 -13.9 245 335 A Q H X S+ 0 0 23 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 112.3 47.1 -57.9 -48.4 -28.1 9.0 -16.8 246 336 A D H X S+ 0 0 65 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.929 109.0 56.8 -59.7 -43.9 -31.5 9.8 -18.4 247 337 A F H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.938 110.9 40.4 -53.9 -54.8 -32.8 11.1 -15.1 248 338 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.903 111.8 57.9 -64.2 -37.5 -30.0 13.7 -14.7 249 339 A N H < S+ 0 0 67 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 106.1 49.5 -57.5 -42.0 -30.1 14.5 -18.4 250 340 A K H < S+ 0 0 87 -4,-2.6 10,-2.0 1,-0.2 3,-0.4 0.766 113.4 47.4 -66.9 -28.3 -33.8 15.5 -18.0 251 341 A C H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.828 108.9 54.4 -77.3 -33.2 -32.9 17.6 -15.0 252 342 A L < + 0 0 2 -4,-2.4 2,-0.5 -5,-0.1 -1,-0.2 0.051 69.6 131.0-100.3 27.3 -29.9 19.4 -16.7 253 343 A I - 0 0 37 -3,-0.4 6,-0.2 1,-0.1 -66,-0.1 -0.673 55.0-140.0 -78.2 125.5 -31.7 20.7 -19.8 254 344 A K S S+ 0 0 55 -2,-0.5 -81,-0.2 4,-0.1 -1,-0.1 0.824 84.0 76.4 -59.6 -34.8 -30.7 24.4 -20.1 255 345 A N S > S- 0 0 81 1,-0.1 4,-2.6 -83,-0.1 3,-0.2 -0.702 75.3-148.0 -85.6 117.4 -34.1 25.6 -21.2 256 346 A P T 4 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.723 94.8 45.8 -59.3 -29.0 -36.4 25.7 -18.1 257 347 A A T 4 S+ 0 0 92 1,-0.1 -2,-0.0 4,-0.0 -3,-0.0 0.875 113.7 47.2 -84.7 -39.2 -39.6 24.8 -20.0 258 348 A E T 4 S+ 0 0 149 -3,-0.2 -1,-0.1 2,-0.0 3,-0.1 0.892 97.6 97.4 -61.9 -41.6 -38.1 21.9 -22.0 259 349 A R S < S- 0 0 5 -4,-2.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.134 88.9 -97.5 -50.1 139.9 -36.6 20.7 -18.7 260 350 A A - 0 0 3 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.166 39.7-146.2 -56.8 150.0 -38.4 17.9 -16.8 261 351 A D > - 0 0 45 -3,-0.1 4,-2.6 -75,-0.0 3,-0.2 -0.638 29.6 -92.5-115.6 178.8 -40.7 19.0 -13.9 262 352 A L H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.905 123.3 51.2 -58.7 -44.5 -41.5 17.4 -10.6 263 353 A K H 4 S+ 0 0 156 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.854 113.9 45.0 -64.4 -34.2 -44.6 15.6 -11.9 264 354 A Q H >4 S+ 0 0 114 -3,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.881 113.0 49.2 -74.0 -39.5 -42.6 14.1 -14.7 265 355 A L H >< S+ 0 0 1 -4,-2.6 3,-2.1 1,-0.2 6,-0.3 0.883 99.3 68.0 -69.6 -36.8 -39.6 13.1 -12.6 266 356 A M T 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.785 109.5 36.3 -47.7 -32.6 -42.0 11.5 -10.1 267 357 A V T < S+ 0 0 99 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.158 86.4 131.6-113.0 19.0 -42.7 8.9 -12.7 268 358 A H X> - 0 0 23 -3,-2.1 4,-2.7 1,-0.1 3,-0.8 -0.461 69.2-116.0 -70.5 143.6 -39.3 8.5 -14.3 269 359 A A H 3> S+ 0 0 57 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.807 116.1 55.7 -46.3 -37.9 -38.0 5.0 -14.8 270 360 A F H 3> S+ 0 0 0 -27,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.885 110.6 42.5 -65.5 -41.9 -35.1 5.7 -12.3 271 361 A I H <> S+ 0 0 0 -3,-0.8 4,-3.0 -6,-0.3 -2,-0.2 0.921 115.1 51.0 -70.1 -43.5 -37.5 6.8 -9.6 272 362 A K H X S+ 0 0 145 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.917 113.9 44.2 -61.1 -44.3 -39.8 3.9 -10.4 273 363 A R H X S+ 0 0 60 -4,-3.1 4,-1.6 -5,-0.2 3,-0.5 0.938 115.6 48.7 -61.2 -47.7 -36.8 1.5 -10.2 274 364 A S H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.783 103.1 60.1 -67.7 -32.7 -35.6 3.2 -7.0 275 365 A D H < S+ 0 0 88 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 109.1 45.1 -57.7 -39.1 -39.0 3.1 -5.2 276 366 A A H < S+ 0 0 87 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.890 90.7 105.3 -72.1 -40.9 -38.9 -0.7 -5.5 277 367 A E < - 0 0 40 -4,-1.6 2,-0.8 1,-0.1 -3,-0.0 0.012 68.8-131.9 -51.2 140.5 -35.3 -1.2 -4.4 278 368 A E + 0 0 179 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.869 38.3 168.2 -95.2 107.4 -34.5 -2.5 -0.9 279 369 A V - 0 0 30 -2,-0.8 2,-1.5 -175,-0.1 3,-0.2 -0.983 37.5-148.1-129.9 126.3 -31.9 -0.3 0.6 280 370 A D > + 0 0 117 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 -0.585 33.1 163.4 -86.8 70.6 -30.7 -0.0 4.2 281 371 A F H > S+ 0 0 14 -2,-1.5 4,-3.3 1,-0.2 3,-0.2 0.970 74.1 50.9 -51.1 -58.9 -30.0 3.7 3.9 282 372 A A H > S+ 0 0 24 1,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.820 113.8 46.8 -45.6 -39.7 -29.9 4.1 7.7 283 373 A G H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.862 111.4 49.1 -75.6 -39.0 -27.4 1.3 7.8 284 374 A W H X S+ 0 0 48 -4,-2.8 4,-1.5 -3,-0.2 5,-0.2 0.916 111.1 51.6 -66.7 -43.0 -25.3 2.6 5.0 285 375 A L H >X S+ 0 0 0 -4,-3.3 4,-2.8 -5,-0.2 3,-0.8 0.968 113.0 42.3 -54.3 -58.8 -25.2 6.0 6.6 286 376 A C H 3X>S+ 0 0 21 -4,-2.0 4,-2.1 1,-0.3 5,-1.0 0.905 113.2 53.2 -60.1 -43.3 -24.0 4.7 10.0 287 377 A S H 3<5S+ 0 0 103 -4,-2.2 -1,-0.3 3,-0.2 -2,-0.2 0.731 116.5 39.1 -64.7 -26.4 -21.5 2.3 8.5 288 378 A T H <<5S+ 0 0 51 -4,-1.5 -2,-0.2 -3,-0.8 -1,-0.2 0.899 127.2 29.3 -89.4 -51.1 -19.9 5.1 6.4 289 379 A I H <5S- 0 0 34 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.520 111.7-110.9 -91.5 -5.6 -19.9 8.1 8.8 290 380 A G T <5 + 0 0 60 -4,-2.1 2,-0.2 -5,-0.4 -3,-0.2 0.994 61.7 136.2 77.2 72.8 -19.6 6.0 12.0 291 381 A L < 0 0 55 -5,-1.0 -1,-0.1 1,-0.1 -203,-0.0 -0.634 360.0 360.0-129.1-172.2 -22.8 6.2 14.1 292 382 A N 0 0 192 -2,-0.2 -1,-0.1 -5,-0.0 -6,-0.1 0.189 360.0 360.0-144.8 360.0 -25.3 4.0 16.1