==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-SEP-10 3ORN . COMPND 2 MOLECULE: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.LUKACS,C.JANSON,V.SCHUCK,C.BELUNIS . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13722.0 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 . 40 14.3 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 . 34 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 32.1 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+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 0 1 3 0 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 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 94 0, 0.0 70,-0.1 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 -9.1 79.8 -16.9 4.9 2 62 A E + 0 0 166 68,-0.2 2,-0.3 1,-0.1 69,-0.1 0.976 360.0 177.7 74.6 81.1 80.3 -14.0 2.4 3 63 A L + 0 0 14 69,-0.1 2,-0.3 67,-0.0 -1,-0.1 -0.791 11.3 179.6-112.8 153.3 77.1 -13.8 0.4 4 64 A K >> - 0 0 129 -2,-0.3 3,-2.5 69,-0.1 4,-0.6 -0.976 42.1-105.0-154.0 148.3 76.1 -11.4 -2.4 5 65 A D G >4 S+ 0 0 59 -2,-0.3 3,-0.6 1,-0.3 70,-0.1 0.706 116.2 55.8 -50.3 -29.5 73.0 -11.2 -4.5 6 66 A D G 34 S+ 0 0 127 1,-0.2 -1,-0.3 21,-0.0 22,-0.1 0.739 93.2 68.9 -78.1 -22.0 74.5 -12.7 -7.6 7 67 A D G <4 S+ 0 0 21 -3,-2.5 21,-1.9 21,-0.1 -1,-0.2 0.822 94.1 80.7 -57.2 -30.1 75.6 -15.8 -5.8 8 68 A F E << -A 27 0A 16 -3,-0.6 2,-0.3 -4,-0.6 19,-0.2 -0.270 53.7-172.3 -91.0 164.3 71.9 -16.8 -5.6 9 69 A E E -A 26 0A 117 17,-1.2 17,-3.4 -2,-0.1 2,-0.3 -0.947 30.1-117.2-152.1 130.9 69.3 -18.3 -7.8 10 70 A K E +A 25 0A 140 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.500 30.6 171.5 -79.5 131.5 65.6 -18.5 -6.9 11 71 A I E - 0 0 85 13,-2.7 2,-0.3 1,-0.4 14,-0.2 0.781 62.9 -48.3-100.5 -41.2 64.0 -22.0 -6.5 12 72 A S E -A 24 0A 54 12,-1.9 12,-2.8 0, 0.0 2,-0.5 -0.973 57.6 -81.1 178.8 170.4 60.6 -21.0 -5.2 13 73 A E E -A 23 0A 113 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.813 24.3-171.1 -96.1 127.9 58.7 -18.9 -2.6 14 74 A L E - 0 0 53 8,-2.3 2,-0.2 -2,-0.5 9,-0.2 0.676 61.1 -74.9 -87.7 -19.2 58.4 -20.4 0.9 15 75 A G E -A 22 0A 29 7,-1.3 7,-3.2 2,-0.0 -1,-0.4 -0.744 39.3-118.2 142.9 167.0 55.9 -17.7 1.9 16 76 A A E -A 21 0A 66 5,-0.3 5,-0.2 -2,-0.2 2,-0.2 -0.959 18.0-171.7-135.6 153.0 55.5 -14.1 2.9 17 77 A G - 0 0 57 3,-2.5 -2,-0.0 -2,-0.3 148,-0.0 -0.478 50.7 -71.5-121.6-157.5 54.3 -12.3 6.0 18 78 A N S S+ 0 0 117 1,-0.2 147,-0.0 -2,-0.2 3,-0.0 0.928 127.7 32.2 -63.8 -46.3 53.6 -8.7 6.8 19 79 A G S S- 0 0 38 1,-0.1 21,-0.8 20,-0.0 2,-0.3 0.575 123.9 -9.8 -95.9 -10.6 57.1 -7.5 6.8 20 80 A G E - B 0 39A 23 19,-0.2 -3,-2.5 2,-0.0 2,-0.4 -0.963 56.3-109.8-167.6-179.0 58.9 -9.6 4.2 21 81 A V E -AB 16 38A 30 17,-1.7 17,-3.2 -2,-0.3 2,-0.5 -0.985 22.3-146.4-132.2 145.1 59.0 -12.5 1.9 22 82 A V E -AB 15 37A 28 -7,-3.2 -8,-2.3 -2,-0.4 -7,-1.3 -0.937 13.7-165.8-116.4 130.8 61.1 -15.7 2.2 23 83 A F E -AB 13 36A 29 13,-3.3 13,-4.0 -2,-0.5 2,-0.6 -0.903 22.9-133.0-114.4 141.9 62.5 -17.6 -0.8 24 84 A K E +AB 12 35A 60 -12,-2.8 -13,-2.7 -2,-0.4 -12,-1.9 -0.847 45.8 175.3 -81.8 123.3 64.0 -21.1 -1.2 25 85 A V E -AB 10 34A 3 9,-3.1 9,-1.9 -2,-0.6 2,-0.5 -0.880 35.1-125.0-129.1 159.9 67.2 -20.3 -3.1 26 86 A S E -AB 9 33A 26 -17,-3.4 -17,-1.2 -2,-0.3 2,-1.1 -0.932 15.5-149.3 -98.9 126.7 70.3 -22.0 -4.5 27 87 A H E >> -A 8 0A 6 5,-2.9 4,-2.3 -2,-0.5 3,-1.2 -0.792 19.1-161.8 -91.8 96.8 73.5 -20.5 -3.4 28 88 A K T 34 S+ 0 0 114 -21,-1.9 -1,-0.2 -2,-1.1 -20,-0.1 0.821 76.5 52.0 -55.8 -49.0 75.4 -21.4 -6.5 29 89 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -21,-0.1 0.766 123.3 30.0 -65.4 -22.9 79.1 -21.1 -5.6 30 90 A S T <4 S- 0 0 55 -3,-1.2 -2,-0.2 2,-0.1 3,-0.1 0.639 98.5-130.2-105.3 -22.0 78.7 -23.3 -2.5 31 91 A G < + 0 0 54 -4,-2.3 -3,-0.2 1,-0.3 0, 0.0 0.264 57.1 146.4 87.7 -12.0 75.9 -25.6 -3.7 32 92 A L - 0 0 58 -5,-0.5 -5,-2.9 -6,-0.1 2,-0.6 -0.219 45.3-140.5 -58.3 141.9 74.0 -24.9 -0.5 33 93 A V E +B 26 0A 66 -7,-0.2 52,-0.7 -3,-0.1 2,-0.3 -0.947 36.4 166.2-100.5 118.7 70.2 -24.8 -0.5 34 94 A M E -BC 25 84A 0 -9,-1.9 -9,-3.1 -2,-0.6 2,-0.5 -0.868 40.0-112.6-130.8 165.2 69.0 -22.0 1.8 35 95 A A E -BC 24 83A 6 48,-1.9 48,-3.2 -2,-0.3 2,-0.6 -0.861 30.1-158.4 -92.5 127.8 66.0 -19.9 2.8 36 96 A R E -BC 23 82A 22 -13,-4.0 -13,-3.3 -2,-0.5 2,-0.5 -0.922 2.9-162.9-112.2 111.8 66.4 -16.2 1.9 37 97 A K E -BC 22 81A 30 44,-2.8 44,-2.5 -2,-0.6 2,-0.5 -0.801 6.9-158.7 -89.2 128.7 64.2 -13.7 3.7 38 98 A L E -BC 21 80A 24 -17,-3.2 -17,-1.7 -2,-0.5 2,-0.5 -0.936 6.2-168.8-108.8 129.4 64.0 -10.3 2.0 39 99 A I E -BC 20 79A 10 40,-2.5 40,-3.0 -2,-0.5 2,-0.6 -0.968 6.1-157.0-120.7 126.1 63.0 -7.3 4.1 40 100 A H E + C 0 78A 97 -21,-0.8 2,-0.4 -2,-0.5 38,-0.2 -0.900 19.6 166.3-106.7 117.2 62.1 -3.9 2.6 41 101 A L - 0 0 35 -2,-0.6 2,-1.2 36,-0.6 118,-0.1 -0.981 36.0-138.9-128.6 141.8 62.5 -0.8 4.8 42 102 A E + 0 0 168 -2,-0.4 2,-0.3 116,-0.1 -2,-0.0 -0.508 58.3 135.6 -93.1 65.6 62.4 2.8 3.7 43 103 A I - 0 0 45 -2,-1.2 -2,-0.1 1,-0.1 115,-0.0 -0.763 60.6 -93.8-119.3 159.5 65.2 3.9 6.1 44 104 A K >> - 0 0 165 -2,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.429 39.2-114.0 -70.7 142.5 68.4 6.0 5.9 45 105 A P H 3> S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.773 110.4 65.8 -47.7 -34.9 71.6 4.1 5.0 46 106 A A H 3> S+ 0 0 74 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.970 108.3 35.0 -53.9 -59.1 73.1 4.9 8.4 47 107 A I H <> S+ 0 0 50 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.829 113.6 61.5 -70.6 -28.4 70.6 2.7 10.4 48 108 A R H X S+ 0 0 46 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.941 106.0 44.1 -61.2 -48.2 70.4 0.2 7.6 49 109 A N H X S+ 0 0 64 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.803 109.4 58.6 -67.5 -28.3 74.1 -0.7 7.9 50 110 A Q H X S+ 0 0 55 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.857 105.7 50.1 -66.6 -34.9 73.6 -0.7 11.6 51 111 A I H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.971 111.4 45.8 -65.1 -53.5 71.0 -3.4 11.1 52 112 A I H X S+ 0 0 26 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.859 113.5 52.0 -58.4 -35.9 73.3 -5.5 8.9 53 113 A R H >< S+ 0 0 142 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.2 0.952 113.4 42.3 -63.9 -51.4 76.0 -4.9 11.5 54 114 A E H >< S+ 0 0 43 -4,-2.6 3,-1.7 1,-0.2 4,-0.2 0.863 107.5 60.6 -64.5 -37.2 73.8 -6.1 14.4 55 115 A L H >< S+ 0 0 3 -4,-3.2 3,-1.8 1,-0.3 4,-0.3 0.739 85.6 79.8 -63.2 -20.5 72.4 -9.0 12.3 56 116 A Q G X< S+ 0 0 72 -3,-0.8 3,-1.2 -4,-0.7 -1,-0.3 0.698 76.9 72.5 -62.6 -19.0 76.0 -10.3 12.1 57 117 A V G X S+ 0 0 54 -3,-1.7 3,-2.6 1,-0.3 4,-0.4 0.779 75.8 77.6 -65.3 -30.2 75.6 -11.6 15.7 58 118 A L G X S+ 0 0 20 -3,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.791 81.0 71.8 -50.6 -26.2 73.3 -14.4 14.3 59 119 A H G < S+ 0 0 81 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.838 95.1 51.5 -56.7 -32.6 76.6 -16.0 13.2 60 120 A E G < S+ 0 0 136 -3,-2.6 2,-0.4 -4,-0.2 -1,-0.2 0.452 84.4 101.2 -91.4 -2.2 77.3 -16.7 16.9 61 121 A C < + 0 0 19 -3,-1.3 8,-0.3 -4,-0.4 2,-0.2 -0.706 43.6 164.0 -76.2 133.3 74.0 -18.4 17.5 62 122 A N + 0 0 138 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.665 15.4 129.0-156.1 89.9 74.6 -22.2 17.5 63 123 A S > - 0 0 15 3,-0.4 3,-2.0 -2,-0.2 53,-0.0 -0.998 60.8-126.7-149.9 144.1 71.9 -24.4 18.9 64 124 A P T 3 S+ 0 0 93 0, 0.0 80,-0.2 0, 0.0 52,-0.1 0.703 115.5 50.0 -55.6 -19.3 69.8 -27.4 18.0 65 125 A Y T 3 S+ 0 0 67 80,-0.1 81,-2.7 50,-0.1 2,-0.4 0.349 100.5 72.3-106.7 4.5 66.8 -25.3 18.9 66 126 A I B < S-e 146 0B 6 -3,-2.0 -3,-0.4 79,-0.3 81,-0.2 -0.980 87.6-108.1-125.1 134.0 67.7 -22.2 16.9 67 127 A V - 0 0 14 79,-2.6 2,-0.2 -2,-0.4 -4,-0.1 -0.150 43.3 -98.7 -59.5 150.1 67.5 -22.0 13.1 68 128 A G - 0 0 26 -4,-0.1 16,-2.6 -6,-0.1 2,-0.4 -0.468 32.9-151.7 -77.9 143.5 70.7 -21.9 11.2 69 129 A F E +D 83 0A 28 -8,-0.3 14,-0.2 14,-0.3 3,-0.1 -0.893 21.5 170.4-114.0 140.8 72.2 -18.6 10.0 70 130 A Y E - 0 0 63 12,-2.8 2,-0.2 -2,-0.4 -68,-0.2 0.674 61.4 -49.2-116.2 -35.9 74.5 -18.1 7.0 71 131 A G E -D 82 0A 5 11,-1.2 11,-2.5 -70,-0.1 2,-0.4 -0.830 36.7-131.7 167.5 152.7 74.7 -14.4 6.6 72 132 A A E +D 81 0A 8 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.984 34.0 153.0-122.2 137.4 73.0 -11.0 6.3 73 133 A F E -D 80 0A 25 7,-1.8 7,-3.3 -2,-0.4 2,-0.4 -0.955 33.0-117.4-152.3 173.1 73.6 -8.4 3.7 74 134 A Y E +D 79 0A 84 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.913 33.6 149.4-118.1 141.3 72.0 -5.5 1.8 75 135 A S E > +D 78 0A 22 3,-2.5 3,-1.4 -2,-0.4 -2,-0.1 -0.837 63.6 1.3-167.0 136.9 71.2 -5.0 -1.9 76 136 A D T 3 S- 0 0 133 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.932 125.7 -54.6 56.5 51.8 68.6 -3.1 -4.0 77 137 A G T 3 S+ 0 0 19 1,-0.2 -36,-0.6 -37,-0.1 2,-0.4 0.578 117.3 112.5 63.3 8.0 66.7 -1.7 -1.1 78 138 A E E < -CD 40 75A 62 -3,-1.4 -3,-2.5 -38,-0.2 2,-0.6 -0.933 60.2-145.5-115.3 135.4 66.3 -5.2 0.4 79 139 A I E -CD 39 74A 4 -40,-3.0 -40,-2.5 -2,-0.4 2,-0.5 -0.885 21.4-151.7 -93.7 125.5 67.8 -6.6 3.5 80 140 A S E -CD 38 73A 0 -7,-3.3 -7,-1.8 -2,-0.6 2,-0.5 -0.870 15.0-174.4-102.6 126.1 68.7 -10.3 3.0 81 141 A I E -CD 37 72A 19 -44,-2.5 -44,-2.8 -2,-0.5 2,-0.6 -0.979 14.5-156.8-115.4 119.3 68.7 -12.8 5.9 82 142 A C E +CD 36 71A 0 -11,-2.5 -12,-2.8 -2,-0.5 -11,-1.2 -0.862 19.9 173.7-109.5 120.1 70.0 -16.1 4.8 83 143 A M E -CD 35 69A 17 -48,-3.2 -48,-1.9 -2,-0.6 -14,-0.3 -0.650 41.4 -81.3-119.8 163.6 69.0 -19.2 6.8 84 144 A E E -C 34 0A 35 -16,-2.6 2,-0.4 -2,-0.2 -50,-0.2 -0.503 55.7-117.0 -50.7 127.3 69.0 -22.9 7.1 85 145 A H - 0 0 43 -52,-0.7 2,-0.8 -2,-0.2 -1,-0.1 -0.637 23.2-151.5 -71.4 129.0 66.1 -24.1 4.9 86 146 A M > - 0 0 10 -2,-0.4 3,-2.9 1,-0.1 52,-0.2 -0.821 2.5-159.9-108.5 98.6 63.6 -25.8 7.0 87 147 A D T 3 S+ 0 0 83 -2,-0.8 52,-0.2 1,-0.3 -1,-0.1 0.543 86.5 54.3 -61.7 -8.8 61.9 -28.4 4.8 88 148 A G T 3 S- 0 0 8 50,-1.6 -1,-0.3 1,-0.2 51,-0.2 0.536 97.5-144.2-100.1 -8.0 58.8 -28.7 7.1 89 149 A G < - 0 0 17 -3,-2.9 49,-2.7 49,-0.4 -1,-0.2 -0.270 40.4 -35.8 79.9-167.9 57.9 -25.0 7.2 90 150 A S B >> -F 137 0B 9 47,-0.3 4,-2.1 1,-0.1 3,-0.9 -0.548 54.0-115.0 -87.0 160.2 56.5 -23.1 10.2 91 151 A L H 3> S+ 0 0 1 45,-2.8 4,-2.0 42,-1.0 43,-0.2 0.715 117.0 65.7 -65.2 -20.9 54.1 -24.7 12.6 92 152 A D H 3> S+ 0 0 27 41,-1.2 4,-0.8 44,-0.3 -1,-0.3 0.840 104.7 43.3 -69.4 -31.6 51.6 -22.1 11.4 93 153 A Q H X> S+ 0 0 93 -3,-0.9 4,-1.4 40,-0.2 3,-1.0 0.928 111.6 52.1 -76.7 -48.5 51.7 -23.8 7.9 94 154 A V H >X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.3 3,-0.5 0.908 104.3 61.0 -49.6 -39.9 51.6 -27.3 9.4 95 155 A L H 3X S+ 0 0 12 -4,-2.0 4,-1.8 1,-0.3 -1,-0.3 0.840 100.7 51.7 -62.3 -32.9 48.5 -26.1 11.3 96 156 A K H << S+ 0 0 171 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.830 113.1 44.4 -73.1 -31.1 46.7 -25.3 8.0 97 157 A K H << S+ 0 0 141 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.721 125.2 33.3 -79.3 -24.2 47.3 -28.8 6.6 98 158 A A H < S- 0 0 37 -4,-1.8 2,-2.4 -5,-0.2 -2,-0.2 0.524 89.3-142.1-112.6 -12.1 46.4 -30.5 9.9 99 159 A G S < S+ 0 0 41 -4,-1.8 2,-0.3 -5,-0.3 -4,-0.1 -0.251 79.4 9.5 76.8 -55.8 43.8 -28.3 11.3 100 160 A R S S- 0 0 130 -2,-2.4 97,-0.2 -6,-0.1 96,-0.1 -0.988 75.3-119.3-152.8 162.8 45.1 -28.8 14.8 101 161 A I - 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0 0 82 47,-0.0 2,-0.4 -3,-0.0 44,-0.0 -0.809 65.7-157.9-108.6 153.7 46.7 -11.4 15.4 168 228 A S - 0 0 7 -2,-0.3 35,-0.1 35,-0.1 -3,-0.0 -0.995 20.0-176.8-133.0 139.3 48.8 -10.4 18.4 169 229 A Y + 0 0 13 -2,-0.4 22,-0.1 2,-0.0 -38,-0.1 0.223 44.9 133.1-112.1 10.8 50.8 -12.4 20.8 170 230 A M - 0 0 35 -8,-0.1 -2,-0.1 1,-0.1 15,-0.0 -0.304 54.9-122.7 -61.9 146.0 51.8 -9.4 22.8 171 231 A S > - 0 0 1 1,-0.1 4,-1.6 48,-0.0 5,-0.1 -0.401 18.0-110.1 -88.2 166.3 51.4 -9.9 26.6 172 232 A P T 4 S+ 0 0 3 0, 0.0 4,-0.4 0, 0.0 6,-0.2 0.912 114.2 53.8 -60.3 -48.4 49.3 -7.7 29.0 173 233 A E T >4>S+ 0 0 7 72,-0.2 5,-2.4 1,-0.2 3,-1.6 0.934 108.1 49.5 -56.3 -49.1 52.2 -6.1 30.7 174 234 A R G >45S+ 0 0 92 1,-0.3 3,-1.9 3,-0.2 -1,-0.2 0.904 107.6 53.2 -60.2 -41.8 53.8 -4.9 27.5 175 235 A L G 3<5S+ 0 0 51 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.469 109.1 52.9 -76.0 -0.2 50.5 -3.4 26.3 176 236 A Q G < 5S- 0 0 130 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.047 129.9 -90.9-118.9 23.1 50.4 -1.5 29.6 177 237 A G T < 5S+ 0 0 71 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.588 73.9 148.3 90.1 10.6 53.9 -0.0 29.4 178 238 A T < - 0 0 49 -5,-2.4 -1,-0.3 -6,-0.2 3,-0.1 -0.499 53.3-103.6 -78.9 149.6 56.0 -2.7 31.1 179 239 A H - 0 0 134 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.315 46.7 -99.4 -61.2 152.6 59.6 -3.3 30.1 180 240 A Y + 0 0 30 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.555 53.2 158.4 -82.8 141.6 60.0 -6.5 28.1 181 241 A S >> - 0 0 30 -2,-0.2 3,-0.9 -3,-0.1 4,-0.5 -0.881 56.5 -85.2-148.5-178.4 61.2 -9.7 29.8 182 242 A V H >> S+ 0 0 16 -2,-0.3 4,-1.7 1,-0.3 3,-1.5 0.839 119.5 67.4 -63.1 -33.7 61.2 -13.5 29.4 183 243 A Q H 3> S+ 0 0 32 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.882 93.5 59.6 -51.5 -40.6 57.8 -13.6 31.0 184 244 A S H <> S+ 0 0 2 -3,-0.9 4,-1.4 1,-0.2 -1,-0.3 0.748 103.5 50.8 -61.6 -26.6 56.5 -11.9 27.9 185 245 A D H > - 0 0 67 -2,-0.4 4,-1.9 1,-0.1 3,-1.2 -0.431 31.4 -87.7 -88.8 165.4 41.0 -5.1 14.2 211 310 A I H 3> S+ 0 0 22 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.729 120.9 46.5 -49.5 -46.7 44.3 -4.6 15.8 212 311 A F H 3> S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.865 113.2 48.2 -68.6 -36.8 43.6 -2.0 18.4 213 312 A E H <> S+ 0 0 114 -3,-1.2 4,-3.3 2,-0.2 -1,-0.2 0.926 111.7 51.2 -66.1 -44.5 40.4 -3.6 19.7 214 313 A L H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.947 110.4 49.1 -52.9 -51.6 42.2 -6.9 19.9 215 314 A L H X S+ 0 0 14 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.889 113.3 46.3 -61.0 -40.1 45.0 -5.2 21.9 216 315 A D H X S+ 0 0 89 -4,-2.2 4,-0.9 2,-0.2 3,-0.3 0.917 109.9 54.6 -65.3 -42.4 42.5 -3.6 24.2 217 316 A Y H >X S+ 0 0 50 -4,-3.3 4,-2.2 1,-0.2 3,-0.8 0.907 105.3 54.5 -56.9 -43.3 40.7 -6.9 24.5 218 317 A I H 3< S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.1 45.1 -62.5 -37.0 43.9 -8.6 25.7 219 318 A V H 3< S+ 0 0 26 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.595 125.0 33.2 -84.8 -8.5 44.6 -6.1 28.5 220 319 A N H << S+ 0 0 91 -4,-0.9 -2,-0.2 -3,-0.8 -3,-0.2 0.835 102.3 63.5-112.1 -58.2 41.0 -6.3 29.7 221 320 A E S < S- 0 0 81 -4,-2.2 0, 0.0 -5,-0.2 0, 0.0 -0.127 92.6 -89.1 -65.0 165.5 39.2 -9.6 29.3 222 321 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.412 55.2 -86.8 -72.8 158.5 40.4 -12.7 31.1 223 322 A P - 0 0 50 0, 0.0 20,-0.0 0, 0.0 21,-0.0 -0.180 46.7 -98.7 -66.7 156.5 43.0 -14.9 29.3 224 323 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 19,-0.1 -0.326 40.4-163.8 -70.4 156.3 42.1 -17.7 26.9 225 324 A K - 0 0 154 -23,-0.1 3,-0.1 -31,-0.0 11,-0.0 -0.959 24.1 -96.2-139.0 160.6 41.9 -21.3 28.0 226 325 A L - 0 0 3 -2,-0.3 -32,-0.0 10,-0.2 10,-0.0 -0.465 54.4 -89.5 -71.9 146.7 41.8 -24.8 26.5 227 326 A P > - 0 0 49 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 -0.033 39.7-106.5 -59.9 168.0 38.4 -26.5 26.0 228 327 A S T 4 S+ 0 0 121 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.519 97.3 17.1 -89.4 -15.7 36.8 -28.6 28.7 229 328 A G T 4 S+ 0 0 72 3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.612 105.8 67.8-129.7 -20.3 37.1 -32.3 27.7 230 329 A V T 4 S+ 0 0 102 2,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.770 90.2 57.3 -87.4 -28.2 39.6 -32.9 25.0 231 330 A F S < S- 0 0 20 -4,-0.5 5,-0.1 1,-0.1 -34,-0.0 -0.798 87.7 -98.7-111.9 149.3 43.0 -32.2 26.6 232 331 A S > - 0 0 35 -2,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.120 31.7-118.1 -57.1 157.7 44.6 -33.7 29.6 233 332 A L H > S+ 0 0 132 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.701 114.3 56.9 -74.3 -20.2 44.4 -31.7 32.8 234 333 A E H >> S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 3,-0.6 0.947 103.6 50.6 -69.9 -52.0 48.2 -31.4 32.8 235 334 A F H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.856 113.3 47.3 -56.1 -34.8 48.4 -29.8 29.4 236 335 A Q H 3X S+ 0 0 31 -4,-1.3 4,-1.4 2,-0.2 -1,-0.3 0.734 109.5 50.8 -87.2 -17.8 45.8 -27.2 30.5 237 336 A D H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 3,-0.6 0.986 114.2 42.6 -57.5 -60.2 50.7 -25.9 31.9 239 338 A V H 3X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.856 113.4 54.6 -57.0 -36.1 49.0 -23.6 29.4 240 339 A N H 3< S+ 0 0 65 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 105.8 50.7 -64.7 -36.8 47.1 -21.9 32.2 241 340 A K H << S+ 0 0 78 -4,-1.9 10,-2.4 -3,-0.6 -1,-0.2 0.669 109.0 53.3 -77.9 -16.9 50.3 -21.1 34.1 242 341 A C H < S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.775 109.7 47.7 -82.2 -29.8 51.7 -19.6 30.9 243 342 A L S < S+ 0 0 2 -4,-1.2 2,-0.3 -5,-0.2 -2,-0.2 0.201 70.8 136.2-104.2 14.3 48.8 -17.3 30.5 244 343 A I - 0 0 53 -3,-0.2 6,-0.3 1,-0.2 -57,-0.1 -0.494 53.6-140.0 -58.7 123.1 48.5 -15.9 34.0 245 344 A K S S+ 0 0 55 -2,-0.3 -72,-0.2 1,-0.1 -1,-0.2 0.774 85.3 75.1 -64.3 -28.1 47.9 -12.2 33.3 246 345 A N S >> S- 0 0 72 1,-0.2 4,-2.5 -74,-0.1 3,-1.8 -0.756 73.1-152.2 -88.2 110.0 50.2 -11.1 36.2 247 346 A P T 34 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.775 95.3 63.1 -53.5 -23.5 53.8 -11.6 35.1 248 347 A A T 34 S+ 0 0 79 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.888 111.7 34.2 -67.0 -39.0 54.6 -12.0 38.7 249 348 A E T <4 S+ 0 0 126 -3,-1.8 -1,-0.2 2,-0.0 3,-0.1 0.846 95.2 102.2 -84.9 -39.3 52.4 -15.1 39.0 250 349 A R S < S- 0 0 3 -4,-2.5 -8,-0.2 -6,-0.3 -9,-0.1 -0.040 82.6-101.1 -45.0 148.5 53.0 -16.5 35.5 251 350 A A - 0 0 7 -10,-2.4 2,-0.2 -13,-0.2 -65,-0.1 -0.225 31.8-139.1 -69.3 162.7 55.5 -19.4 35.5 252 351 A D > - 0 0 57 -3,-0.1 4,-2.9 -66,-0.1 3,-0.3 -0.735 31.8 -95.1-114.8 174.2 59.1 -19.0 34.5 253 352 A L H > S+ 0 0 13 1,-0.3 4,-2.2 -2,-0.2 5,-0.1 0.837 124.0 53.2 -59.6 -36.3 61.3 -21.3 32.4 254 353 A K H > S+ 0 0 179 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.909 113.5 44.1 -63.9 -40.6 62.7 -23.1 35.4 255 354 A Q H >4 S+ 0 0 101 -3,-0.3 3,-0.9 1,-0.2 4,-0.4 0.916 113.6 49.0 -71.5 -44.6 59.2 -23.8 36.6 256 355 A L H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 6,-0.3 0.893 103.2 62.0 -61.4 -39.2 57.8 -24.8 33.3 257 356 A M H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.760 111.9 37.4 -64.1 -22.1 60.7 -27.2 32.7 258 357 A V T << S+ 0 0 87 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.352 88.5 123.8-109.0 4.1 59.8 -29.2 35.7 259 358 A H S X> S- 0 0 20 -3,-1.4 4,-2.0 -4,-0.4 3,-0.6 -0.278 75.0-111.6 -63.2 151.9 56.0 -29.0 35.3 260 359 A A H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.878 114.9 56.3 -53.9 -43.8 54.1 -32.3 35.1 261 360 A F H 3> S+ 0 0 1 -27,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.880 109.0 45.6 -58.2 -40.2 53.2 -31.8 31.4 262 361 A I H <> S+ 0 0 1 -3,-0.6 4,-2.6 -6,-0.3 -1,-0.2 0.898 108.8 54.5 -75.1 -39.6 56.8 -31.4 30.3 263 362 A K H X S+ 0 0 126 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.916 114.3 42.5 -58.5 -44.8 58.2 -34.3 32.4 264 363 A R H >X S+ 0 0 84 -4,-2.1 4,-2.4 2,-0.2 3,-1.4 0.961 113.9 49.1 -65.1 -54.0 55.6 -36.6 30.7 265 364 A S H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.852 107.5 57.3 -56.2 -35.8 56.1 -35.2 27.2 266 365 A D H 3< S+ 0 0 91 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.779 112.7 40.4 -68.2 -25.2 59.8 -35.6 27.6 267 366 A A H << S+ 0 0 81 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.796 90.3 103.0 -92.1 -31.5 59.3 -39.3 28.3 268 367 A E S < S- 0 0 56 -4,-2.4 2,-1.2 1,-0.1 -4,-0.0 -0.264 74.7-128.1 -56.9 131.3 56.6 -40.0 25.7 269 368 A E + 0 0 202 2,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.711 40.0 174.1 -83.2 98.1 58.0 -41.8 22.6 270 369 A V - 0 0 44 -2,-1.2 2,-1.2 -5,-0.2 3,-0.2 -0.907 30.4-147.7-112.6 130.5 56.7 -39.5 19.9 271 370 A D > + 0 0 112 -2,-0.5 4,-2.0 1,-0.2 5,-0.1 -0.712 28.8 166.1 -95.9 86.3 57.6 -39.9 16.2 272 371 A F H > S+ 0 0 13 -2,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.929 70.7 51.9 -69.8 -48.1 57.5 -36.3 15.1 273 372 A A H > S+ 0 0 24 -132,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.937 113.8 46.0 -54.7 -46.9 59.2 -36.6 11.8 274 373 A G H 4 S+ 0 0 30 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.876 111.4 50.3 -65.3 -39.1 56.9 -39.4 10.8 275 374 A W H X S+ 0 0 62 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.883 114.0 48.7 -62.4 -38.0 53.8 -37.5 12.0 276 375 A L H >X>S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 2,-1.8 0.963 103.3 57.3 -66.1 -57.1 55.1 -34.6 10.0 277 376 A C H 3<5S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.3 -189,-0.0 -0.598 115.6 36.9 -80.5 88.1 55.8 -36.3 6.7 278 377 A S H 345S+ 0 0 97 -2,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 -0.140 108.9 59.7 153.3 -47.6 52.2 -37.6 6.4 279 378 A T H <<5S- 0 0 31 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.1 0.820 141.2 -2.0 -71.8 -33.2 50.4 -34.6 7.8 280 379 A I T <5 0 0 56 -4,-2.2 -3,-0.2 -5,-0.1 -4,-0.1 0.421 360.0 360.0-131.3 -15.3 52.0 -32.6 5.0 281 380 A G < 0 0 76 -5,-1.0 -2,-0.1 -6,-0.2 -1,-0.1 -0.513 360.0 360.0 79.6 360.0 54.1 -35.4 3.4