==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-06 2JBO . COMPND 2 MOLECULE: MAP KINASE-ACTIVATED PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.C.HILLIG,U.EBERSPAECHER,F.MONTECLARO,M.HUBER,D.NGUYEN,A.ME . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 15.3 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 . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.1 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 1 1 2 1 0 0 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 0 1 1 1 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 . 2 0 1 0 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 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 44 A P 0 0 185 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.3 214.3 114.7 178.0 2 45 A Q + 0 0 152 1,-0.1 2,-0.5 0, 0.0 0, 0.0 0.907 360.0 157.4 102.2 75.0 216.3 112.1 180.1 3 46 A F - 0 0 173 2,-0.1 2,-1.0 0, 0.0 -1,-0.1 -0.871 25.4-158.1-134.3 86.2 215.3 108.5 179.5 4 47 A H + 0 0 162 -2,-0.5 2,-0.5 0, 0.0 0, 0.0 -0.601 28.5 155.6 -80.5 104.7 217.8 105.9 180.4 5 48 A V - 0 0 100 -2,-1.0 2,-0.2 0, 0.0 -2,-0.1 -0.997 25.3-157.2-126.1 125.9 216.9 102.8 178.4 6 49 A K - 0 0 146 -2,-0.5 2,-0.1 1,-0.1 64,-0.0 -0.485 32.6 -85.4 -95.3 179.3 219.6 100.3 177.6 7 50 A S - 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.368 37.9-108.9 -90.6 165.5 219.3 98.0 174.7 8 51 A G - 0 0 57 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.338 41.0 -86.9 -83.1 166.5 217.6 94.6 174.3 9 52 A L - 0 0 46 -2,-0.1 2,-0.5 70,-0.0 -1,-0.1 -0.589 40.6-163.0 -77.6 132.9 219.2 91.2 174.0 10 53 A Q - 0 0 132 -2,-0.3 2,-1.2 -3,-0.1 70,-0.6 -0.917 10.9-148.4-123.7 106.8 220.0 90.3 170.4 11 54 A I E -a 80 0A 39 -2,-0.5 70,-0.2 68,-0.1 2,-0.1 -0.581 18.5-146.2 -77.0 101.2 220.7 86.7 169.5 12 55 A K E -a 81 0A 70 68,-2.6 70,-2.6 -2,-1.2 4,-0.1 -0.394 12.7-168.7 -61.3 132.5 223.2 86.8 166.7 13 56 A K + 0 0 125 68,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.591 51.1 100.7-103.0 -13.1 222.7 83.9 164.2 14 57 A N S S- 0 0 61 1,-0.1 2,-0.1 69,-0.1 68,-0.1 -0.263 92.9 -79.8 -68.3 163.5 225.8 84.1 162.0 15 58 A A > - 0 0 40 1,-0.2 3,-1.4 2,-0.1 4,-0.4 -0.457 36.6-137.2 -69.2 132.6 228.5 81.7 162.7 16 59 A I G >> S+ 0 0 11 1,-0.3 3,-2.1 2,-0.2 4,-1.4 0.835 102.6 64.6 -58.4 -31.4 230.5 82.9 165.7 17 60 A I G 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.751 88.8 68.8 -69.2 -23.1 233.7 82.0 164.0 18 61 A D G <4 S+ 0 0 101 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.804 115.4 26.8 -51.4 -32.5 232.8 84.6 161.4 19 62 A D T <4 S+ 0 0 51 -3,-2.1 22,-1.3 -4,-0.4 23,-0.5 0.597 123.9 34.8-115.0 -13.1 233.4 87.1 164.3 20 63 A Y E < -B 40 0A 5 -4,-1.4 2,-0.4 20,-0.3 20,-0.2 -0.986 67.0-121.4-142.7 152.0 236.0 85.5 166.7 21 64 A K E -B 39 0A 133 18,-2.5 18,-2.3 -2,-0.3 2,-0.6 -0.774 34.2-149.7 -85.5 129.8 239.0 83.3 166.9 22 65 A V E -B 38 0A 58 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.914 12.6-164.3-113.5 117.5 238.2 80.3 169.1 23 66 A T E - 0 0 33 14,-1.9 14,-0.1 -2,-0.6 0, 0.0 -0.324 29.3-126.8 -90.1 171.1 240.9 78.6 171.2 24 67 A S E S+ 0 0 113 12,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.467 71.1 121.8 -89.6 -6.6 241.2 75.3 173.0 25 68 A Q E - 0 0 110 12,-0.3 12,-1.8 1,-0.1 2,-0.4 -0.394 56.9-139.7 -65.5 130.6 242.2 77.1 176.2 26 69 A V E +B 36 0A 70 10,-0.2 10,-0.2 -2,-0.2 3,-0.1 -0.741 25.1 175.3 -94.0 134.5 239.9 76.4 179.1 27 70 A L E - 0 0 76 8,-4.4 2,-0.3 1,-0.4 9,-0.2 0.621 68.7 -8.7-109.8 -21.4 238.9 79.1 181.5 28 71 A G E -B 35 0A 28 7,-0.9 7,-2.3 2,-0.0 -1,-0.4 -0.953 57.3-129.4-167.9 157.9 236.4 77.2 183.7 29 72 A L E +B 34 0A 143 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.922 33.4 154.6-110.0 138.9 234.5 73.9 184.0 30 73 A G E > -B 33 0A 47 3,-1.2 3,-1.2 -2,-0.4 -2,-0.0 -0.731 61.7 -78.1-138.3-166.3 230.8 73.7 184.6 31 74 A I T 3 S+ 0 0 172 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.814 131.9 54.3 -68.3 -30.6 227.9 71.2 184.0 32 75 A N T 3 S- 0 0 78 1,-0.3 -1,-0.3 20,-0.0 19,-0.3 0.010 115.7-123.9 -87.6 31.1 227.9 72.5 180.4 33 76 A G E < +B 30 0A 32 -3,-1.2 -3,-1.2 17,-0.1 -1,-0.3 -0.271 63.1 21.6 60.5-142.5 231.6 71.6 180.1 34 77 A K E -B 29 0A 132 -5,-0.2 17,-0.7 -3,-0.1 2,-0.5 -0.003 47.7-149.6 -69.3 147.6 234.3 74.0 179.2 35 78 A V E -BC 28 50A 29 -7,-2.3 -8,-4.4 15,-0.1 -7,-0.9 -0.991 32.4-156.9-104.6 125.0 234.5 77.8 179.2 36 79 A L E -BC 26 49A 34 13,-2.1 13,-2.7 -2,-0.5 2,-0.5 -0.570 13.9-121.3-101.0 158.8 236.8 78.7 176.4 37 80 A Q E + C 0 48A 18 -12,-1.8 -14,-1.9 11,-0.2 2,-0.3 -0.866 36.7 174.6 -97.4 137.3 239.0 81.6 175.6 38 81 A I E -BC 22 47A 0 9,-2.9 9,-2.9 -2,-0.5 2,-0.4 -0.875 21.9-135.7-135.0 169.4 238.3 83.5 172.5 39 82 A F E -BC 21 46A 50 -18,-2.3 -18,-2.5 -2,-0.3 2,-0.7 -0.982 21.8-121.0-131.1 133.5 239.4 86.6 170.6 40 83 A N E > -B 20 0A 22 5,-3.0 4,-3.1 -2,-0.4 -20,-0.3 -0.610 20.7-143.9 -76.2 116.6 237.4 89.2 168.9 41 84 A K T 4 S+ 0 0 113 -22,-1.3 -1,-0.2 -2,-0.7 -21,-0.1 0.880 95.2 38.1 -48.7 -41.6 238.7 89.2 165.3 42 85 A R T 4 S+ 0 0 226 -23,-0.5 -1,-0.2 1,-0.1 -22,-0.1 0.991 129.8 25.8 -71.1 -60.6 238.3 93.1 164.9 43 86 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.743 89.8-142.5 -82.8 -26.7 239.3 94.4 168.3 44 87 A Q < + 0 0 124 -4,-3.1 -3,-0.1 1,-0.3 -1,-0.1 0.513 49.9 143.8 69.8 8.7 241.6 91.5 169.1 45 88 A E - 0 0 120 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.3 -0.386 51.8-110.6 -75.4 162.0 240.5 91.6 172.8 46 89 A K E +C 39 0A 59 -7,-0.2 51,-0.4 -3,-0.1 2,-0.3 -0.710 37.6 175.9 -96.2 138.5 240.1 88.4 174.8 47 90 A F E -C 38 0A 31 -9,-2.9 -9,-2.9 -2,-0.3 2,-0.4 -0.953 29.3-119.8-139.6 157.6 236.7 87.1 175.9 48 91 A A E -CD 37 95A 10 47,-2.0 47,-2.5 -2,-0.3 2,-0.5 -0.802 26.4-154.5 -94.2 142.7 235.4 84.0 177.7 49 92 A L E -CD 36 94A 6 -13,-2.7 -13,-2.1 -2,-0.4 2,-0.4 -0.978 6.6-166.8-123.2 125.5 232.9 81.9 175.8 50 93 A K E -CD 35 93A 31 43,-2.8 43,-3.6 -2,-0.5 2,-0.5 -0.918 9.0-155.1-111.7 134.5 230.3 79.8 177.5 51 94 A M E + D 0 92A 47 -17,-0.7 2,-0.3 -2,-0.4 41,-0.2 -0.933 15.3 173.3-117.6 123.9 228.4 77.2 175.5 52 95 A L E - D 0 91A 7 39,-2.8 39,-2.5 -2,-0.5 2,-0.5 -0.893 37.3-110.0-123.4 151.9 225.1 75.8 176.3 53 96 A Q E - D 0 90A 98 -2,-0.3 5,-0.3 37,-0.2 37,-0.3 -0.738 47.5-107.8 -75.7 126.7 222.7 73.5 174.6 54 97 A D + 0 0 21 35,-1.7 35,-0.1 -2,-0.5 3,-0.1 -0.255 67.5 113.2 -57.6 137.7 219.7 75.6 173.5 55 98 A C S > S- 0 0 49 1,-0.1 4,-2.5 -3,-0.0 5,-0.3 -0.880 79.1 -75.4 161.6 165.1 216.5 74.9 175.4 56 99 A P H > S+ 0 0 97 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.860 127.1 48.1 -60.1 -44.2 214.2 76.6 177.9 57 100 A K H >> S+ 0 0 155 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.932 112.7 49.3 -57.0 -51.2 216.5 76.3 180.9 58 101 A A H 3> S+ 0 0 10 -5,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.891 107.6 55.9 -51.7 -45.5 219.5 77.7 178.9 59 102 A R H 3X S+ 0 0 86 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.832 105.5 51.3 -59.0 -35.3 217.4 80.6 177.6 60 103 A R H < S+ 0 0 48 -4,-3.0 3,-1.7 -5,-0.3 4,-0.5 0.997 111.0 51.0 -60.6 -57.5 221.8 89.7 180.2 67 110 A R H >< S+ 0 0 87 -4,-2.8 3,-0.6 1,-0.3 -2,-0.2 0.836 115.1 43.3 -45.1 -41.3 219.4 91.5 182.6 68 111 A A H >< S+ 0 0 0 -4,-2.5 3,-2.5 1,-0.2 -1,-0.3 0.639 87.2 89.1 -85.1 -14.6 222.1 91.5 185.3 69 112 A S T << S+ 0 0 1 -3,-1.7 -1,-0.2 -4,-1.5 5,-0.2 0.698 73.5 74.2 -58.4 -17.4 225.1 92.5 183.1 70 113 A Q T < S+ 0 0 54 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.676 77.2 96.9 -69.0 -14.5 224.3 96.2 183.7 71 114 A C S X S- 0 0 5 -3,-2.5 3,-1.9 1,-0.1 59,-0.1 -0.600 75.7-138.1 -78.4 126.8 225.7 95.7 187.2 72 115 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.785 101.4 49.3 -51.6 -28.0 229.3 96.8 187.7 73 116 A H T 3 S+ 0 0 28 88,-0.1 89,-2.5 2,-0.1 2,-0.4 0.117 95.9 82.2-104.9 27.0 230.1 93.7 189.9 74 117 A I B < S-f 162 0B 1 -3,-1.9 89,-0.2 87,-0.3 87,-0.1 -0.994 93.0 -97.3-132.6 126.9 228.7 91.0 187.6 75 118 A V - 0 0 1 87,-2.2 2,-0.4 -2,-0.4 -4,-0.1 -0.071 46.3-122.6 -46.5 125.8 230.5 89.6 184.6 76 119 A R - 0 0 117 -4,-0.1 20,-2.4 -6,-0.1 2,-0.5 -0.595 10.9-140.4 -82.8 124.6 229.3 91.4 181.6 77 120 A I E - E 0 95A 3 -2,-0.4 18,-0.3 -12,-0.3 3,-0.1 -0.736 17.8-175.3 -78.1 129.8 227.7 89.5 178.7 78 121 A V E - 0 0 55 16,-2.9 2,-0.2 -2,-0.5 17,-0.2 0.658 60.0 -25.2-104.3 -30.3 229.0 91.1 175.5 79 122 A D E - E 0 94A 21 15,-1.4 15,-3.1 2,-0.0 2,-0.4 -0.866 51.9-137.1-176.2 172.0 226.9 89.2 173.0 80 123 A V E -aE 11 93A 0 -70,-0.6 -68,-2.6 -2,-0.2 2,-0.4 -0.991 11.8-166.3-139.4 128.1 225.1 85.9 172.3 81 124 A Y E -aE 12 92A 0 11,-2.5 11,-3.2 -2,-0.4 2,-0.6 -0.905 11.1-154.3-111.8 143.4 225.0 83.7 169.3 82 125 A E E + E 0 91A 37 -70,-2.6 2,-0.2 -2,-0.4 9,-0.2 -0.972 35.3 158.3-112.2 115.5 222.6 80.9 168.5 83 126 A N E - E 0 90A 23 7,-1.4 7,-2.4 -2,-0.6 2,-0.4 -0.773 42.8-100.7-125.5 171.4 224.4 78.5 166.2 84 127 A L E + E 0 89A 130 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.828 34.2 175.8 -94.1 133.1 224.3 74.9 165.0 85 128 A Y E > S- E 0 88A 141 3,-2.8 3,-0.6 -2,-0.4 -2,-0.0 -0.883 75.6 -17.5-142.5 104.0 226.8 72.4 166.5 86 129 A A T 3 S- 0 0 81 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.958 125.7 -56.9 60.0 50.8 226.5 68.8 165.4 87 130 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.610 117.8 117.7 60.9 11.3 223.0 69.4 164.2 88 131 A R E < - E 0 85A 119 -3,-0.6 -3,-2.8 0, 0.0 2,-0.2 -0.935 68.4-122.6-117.5 130.6 222.2 70.6 167.7 89 132 A K E - E 0 84A 107 -2,-0.4 -35,-1.7 -5,-0.2 2,-0.3 -0.488 38.7-174.2 -73.9 137.5 221.0 74.2 168.4 90 133 A C E -DE 53 83A 4 -7,-2.4 -7,-1.4 -37,-0.3 2,-0.5 -0.961 29.2-136.2-142.8 153.0 223.2 76.1 170.8 91 134 A L E -DE 52 82A 1 -39,-2.5 -39,-2.8 -2,-0.3 2,-0.6 -0.926 18.4-167.1-106.3 127.2 223.7 79.2 172.8 92 135 A L E -DE 51 81A 12 -11,-3.2 -11,-2.5 -2,-0.5 2,-0.6 -0.975 7.4-160.1-116.5 115.2 227.1 80.7 172.8 93 136 A I E -DE 50 80A 0 -43,-3.6 -43,-2.8 -2,-0.6 2,-0.7 -0.886 1.7-159.6 -99.9 121.7 227.5 83.3 175.4 94 137 A V E +DE 49 79A 0 -15,-3.1 -16,-2.9 -2,-0.6 -15,-1.4 -0.872 22.9 169.5-101.1 108.3 230.4 85.8 174.9 95 138 A M E -DE 48 77A 16 -47,-2.5 -47,-2.0 -2,-0.7 -18,-0.2 -0.686 39.7 -81.3-114.7 169.7 231.3 87.4 178.2 96 139 A E - 0 0 41 -20,-2.4 2,-0.5 -2,-0.2 -1,-0.2 -0.184 49.5-113.2 -64.8 163.8 234.1 89.6 179.5 97 140 A C - 0 0 17 -51,-0.4 2,-1.0 -50,-0.1 -1,-0.1 -0.875 17.6-156.3-115.5 121.0 237.2 87.9 180.5 98 141 A L > + 0 0 23 -2,-0.5 3,-1.4 1,-0.2 53,-0.3 -0.689 16.6 172.5-106.3 87.6 238.4 87.8 184.1 99 142 A D T 3 + 0 0 73 53,-1.1 54,-0.2 -2,-1.0 53,-0.2 0.702 67.6 77.9 -63.7 -27.7 242.2 87.2 184.0 100 143 A G T 3 S- 0 0 7 51,-2.0 -1,-0.3 1,-0.2 52,-0.2 0.496 89.0-152.2 -67.7 0.7 242.6 87.8 187.7 101 144 A G < - 0 0 28 -3,-1.4 50,-2.2 50,-0.5 -1,-0.2 -0.046 43.2 -9.3 58.8-164.5 241.3 84.3 188.3 102 145 A E B > -G 150 0B 82 48,-0.2 4,-1.6 1,-0.1 48,-0.3 -0.232 64.0-114.7 -80.0 154.0 239.4 83.3 191.5 103 146 A L H > S+ 0 0 0 46,-3.0 4,-1.3 43,-0.6 47,-0.1 0.858 111.1 44.0 -47.2 -48.2 239.0 85.3 194.6 104 147 A F H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 104.1 60.1 -77.1 -35.7 241.0 83.0 196.9 105 148 A S H > S+ 0 0 46 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.915 105.9 52.9 -52.9 -42.9 243.9 82.3 194.6 106 149 A R H >< S+ 0 0 51 -4,-1.6 3,-0.7 2,-0.2 -1,-0.2 0.917 111.1 42.5 -62.5 -47.2 244.6 86.1 194.7 107 150 A I H >< S+ 0 0 6 -4,-1.3 3,-1.8 1,-0.2 4,-0.4 0.963 113.7 52.8 -60.2 -51.6 244.6 86.4 198.5 108 151 A Q H 3< S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.564 100.6 64.0 -64.6 -11.3 246.7 83.3 198.9 109 152 A D T << S+ 0 0 113 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.112 89.6 70.0-106.1 20.9 249.2 84.6 196.4 110 153 A R < + 0 0 68 -3,-1.8 -2,-0.1 1,-0.1 -3,-0.1 0.796 45.7 142.4 -85.5 -88.9 250.3 87.5 198.6 111 154 A G + 0 0 43 -4,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.312 67.2 70.2 63.5 -8.3 252.2 86.0 201.5 112 155 A D S S+ 0 0 147 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.352 106.9 28.3-116.2 0.0 254.5 89.0 201.4 113 156 A Q S S- 0 0 122 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.515 94.7-116.8-113.1 -88.7 252.1 91.6 202.6 114 157 A A - 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0 0 62 -3,-1.3 5,-0.0 1,-0.1 0, 0.0 -0.433 60.5-121.2 -72.2 133.5 200.7 98.0 201.9 181 231 A A >> - 0 0 35 -2,-0.1 3,-1.5 1,-0.1 4,-1.1 -0.487 18.7-119.3 -73.9 145.0 202.8 95.4 203.6 182 232 A P T 34 S+ 0 0 100 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.824 111.7 62.3 -54.3 -37.5 205.4 93.6 201.4 183 233 A E T 34 S+ 0 0 157 1,-0.2 3,-0.2 2,-0.1 -3,-0.0 0.785 99.7 54.6 -64.1 -26.3 203.8 90.3 202.1 184 234 A V T <4 S+ 0 0 103 -3,-1.5 2,-2.8 1,-0.2 -1,-0.2 0.855 90.2 77.7 -74.7 -33.1 200.6 91.5 200.4 185 235 A L S < S- 0 0 128 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 -0.287 115.5 -71.3 -73.4 56.1 202.6 92.4 197.3 186 236 A G - 0 0 36 -2,-2.8 -1,-0.2 -3,-0.2 -14,-0.0 0.365 57.2 -64.6 80.4 155.4 202.6 88.7 196.3 187 237 A P + 0 0 114 0, 0.0 -15,-0.1 0, 0.0 -2,-0.1 0.907 52.0 149.5 -28.4-101.1 204.2 85.3 197.2 188 238 A E - 0 0 71 -16,-0.5 2,-0.3 -17,-0.2 3,-0.2 0.942 36.6-154.0 45.0 71.0 208.1 85.1 196.8 189 239 A K - 0 0 158 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.567 46.3 -55.2 -83.6 131.2 209.1 82.6 199.5 190 240 A Y S S+ 0 0 159 -2,-0.3 -1,-0.2 1,-0.2 71,-0.1 0.536 90.3 126.7 3.1 84.1 212.5 82.6 201.2 191 241 A D + 0 0 40 -3,-0.2 3,-0.5 69,-0.1 4,-0.3 0.615 65.3 47.9-129.9 -32.9 214.6 82.3 198.0 192 242 A K S > S+ 0 0 37 1,-0.2 4,-1.3 2,-0.1 3,-0.2 0.480 93.0 84.9 -91.7 -7.9 217.1 85.1 197.9 193 243 A S H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.661 79.5 60.9 -71.5 -13.6 218.0 84.2 201.5 194 244 A C H > S+ 0 0 50 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.904 96.3 58.5 -83.0 -34.5 220.4 81.6 200.4 195 245 A D H > S+ 0 0 0 -4,-0.3 4,-2.0 -3,-0.2 -2,-0.2 0.924 104.9 54.8 -49.7 -46.5 222.5 84.2 198.6 196 246 A M H X S+ 0 0 3 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.904 105.4 49.7 -55.2 -42.8 222.6 85.7 202.1 197 247 A W H >X S+ 0 0 50 -4,-1.4 4,-2.2 1,-0.2 3,-0.7 0.978 108.1 54.2 -59.7 -51.3 223.9 82.4 203.6 198 248 A S H 3X S+ 0 0 24 -4,-2.7 4,-2.8 1,-0.3 5,-0.2 0.867 104.6 55.9 -45.4 -44.4 226.6 82.2 200.8 199 249 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.907 105.5 50.6 -60.1 -42.1 227.7 85.7 201.8 200 250 A G H X S+ 0 0 4 -4,-3.3 4,-0.8 1,-0.2 3,-0.6 0.954 113.5 44.5 -45.9 -55.1 233.9 83.5 207.3 205 255 A I H >X S+ 0 0 19 -4,-2.5 4,-1.6 1,-0.3 3,-0.7 0.843 108.0 57.6 -65.1 -36.7 236.6 82.2 205.0 206 256 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 82,-0.2 0.885 107.2 49.2 -62.0 -34.0 237.8 85.7 204.1 207 257 A L H << S+ 0 0 4 -4,-2.0 80,-0.4 -3,-0.6 81,-0.3 0.659 133.7 2.7 -84.4 -10.9 238.5 86.3 207.7 208 258 A C H << S- 0 0 0 -4,-0.8 -3,-0.2 -3,-0.7 83,-0.2 0.563 93.3-107.9-145.9 -31.1 240.4 83.2 208.6 209 259 A G S < S+ 0 0 11 -4,-1.6 -4,-0.2 -5,-0.4 -3,-0.1 0.606 84.5 76.5 104.8 14.2 241.0 80.9 205.7 210 260 A Y S S- 0 0 35 -6,-0.2 -1,-0.2 -5,-0.0 -2,-0.1 -0.988 80.4 -99.1-151.3 148.7 238.7 77.9 206.3 211 261 A P - 0 0 42 0, 0.0 3,-0.2 0, 0.0 -9,-0.1 -0.219 25.7-126.3 -60.7 153.3 235.0 77.2 206.0 212 262 A P S S+ 0 0 10 0, 0.0 2,-0.7 0, 0.0 23,-0.3 0.823 108.6 48.4 -68.3 -30.5 232.8 77.4 209.0 213 263 A F S S- 0 0 18 21,-0.1 2,-0.2 19,-0.0 21,-0.1 -0.875 81.1-179.7-115.4 100.1 231.6 73.9 208.1 214 264 A Y - 0 0 148 -2,-0.7 -4,-0.0 -3,-0.2 0, 0.0 -0.635 23.0-126.8 -95.7 149.5 234.7 71.8 207.4 215 265 A S + 0 0 22 -2,-0.2 -1,-0.2 1,-0.1 7,-0.1 0.541 23.4 177.6 -67.0-135.6 234.7 68.1 206.4 216 266 A N - 0 0 118 2,-0.0 6,-0.2 9,-0.0 -1,-0.1 0.016 38.4-128.4 151.5 -34.1 236.7 65.5 208.3 217 267 A H S S+ 0 0 146 4,-0.9 2,-0.5 1,-0.1 5,-0.1 0.558 70.6 60.4 69.1 144.7 235.7 62.2 206.5 218 268 A G S S- 0 0 79 3,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.697 105.4 -25.7 118.4 -78.4 234.4 58.9 207.8 219 269 A L S S+ 0 0 76 -2,-0.5 0, 0.0 3,-0.0 0, 0.0 -0.804 129.8 13.4-179.6 131.8 231.0 59.3 209.8 220 270 A A S S+ 0 0 81 -2,-0.2 -2,-0.0 1,-0.0 0, 0.0 0.771 117.2 80.1 53.4 29.6 229.5 62.3 211.6 221 271 A I S S+ 0 0 11 3,-0.1 -4,-0.9 -5,-0.0 -3,-0.0 0.401 113.5 4.3-140.1 -18.2 232.3 64.0 209.7 222 272 A S S S+ 0 0 54 -6,-0.2 4,-0.4 -7,-0.1 -3,-0.0 0.364 146.4 36.6-134.9 -38.4 230.7 64.4 206.2 223 273 A P S > S+ 0 0 81 0, 0.0 4,-0.7 0, 0.0 5,-0.1 0.849 128.6 42.0 -65.6 -38.5 227.2 63.0 207.1 224 274 A G H > S+ 0 0 7 2,-0.2 4,-3.1 1,-0.2 3,-0.3 0.832 107.7 57.7 -71.3 -38.9 227.9 64.9 210.4 225 275 A M H > S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.761 106.8 53.7 -55.3 -26.2 229.4 67.9 208.5 226 276 A K H > S+ 0 0 151 -4,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.756 111.0 40.6 -87.1 -27.5 226.0 67.9 206.9 227 277 A T H X S+ 0 0 81 -4,-0.7 4,-3.0 -3,-0.3 5,-0.3 0.778 104.9 67.4 -85.9 -31.5 224.1 68.0 210.2 228 278 A R H <>S+ 0 0 48 -4,-3.1 5,-3.3 1,-0.2 4,-0.3 0.869 103.9 46.4 -46.6 -41.4 226.6 70.4 211.6 229 279 A I H ><5S+ 0 0 62 -4,-0.9 3,-0.6 3,-0.2 -1,-0.2 0.878 110.1 52.4 -68.0 -41.0 225.2 72.8 208.9 230 280 A R H 3<5S+ 0 0 193 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 113.8 42.3 -63.1 -45.7 221.6 71.9 209.9 231 281 A M T 3<5S- 0 0 133 -4,-3.0 -1,-0.2 2,-0.1 -2,-0.2 0.517 110.6-125.1 -72.5 -11.0 222.3 72.7 213.6 232 282 A G T < 5 + 0 0 21 -3,-0.6 2,-0.6 -4,-0.3 -3,-0.2 0.977 49.2 168.7 54.3 59.6 224.2 75.8 212.6 233 283 A Q < + 0 0 94 -5,-3.3 2,-0.3 -6,-0.1 -1,-0.2 -0.869 11.1 122.3-116.7 113.4 227.3 74.7 214.5 234 284 A Y - 0 0 44 -2,-0.6 2,-0.2 -21,-0.1 -21,-0.1 -0.952 39.3-140.9-154.3 157.5 230.6 76.4 214.0 235 285 A E - 0 0 121 -2,-0.3 -2,-0.0 -23,-0.3 0, 0.0 -0.665 18.6-131.8-117.2 172.7 233.1 78.2 216.2 236 286 A F - 0 0 21 -2,-0.2 5,-0.1 4,-0.0 13,-0.0 -0.627 43.7-165.4-114.2 69.6 235.3 81.3 216.0 237 287 A P >> - 0 0 48 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.257 16.7 -92.6 -67.2 137.7 238.3 79.4 217.2 238 288 A N T 34 S+ 0 0 111 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 -0.381 96.3 38.4 -70.4 162.7 241.4 81.3 218.4 239 289 A P T 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 -0.871 120.9 48.8 -97.0 30.3 243.9 82.4 217.6 240 290 A E T X4 S+ 0 0 47 -3,-1.0 3,-0.7 2,-0.1 -2,-0.2 0.923 123.7 30.6 -79.3 -49.9 242.4 83.4 214.3 241 291 A W G >< S+ 0 0 1 -4,-1.4 3,-2.6 1,-0.2 -3,-0.2 0.609 93.2 94.6 -87.5 -10.3 239.3 85.1 215.7 242 292 A S G 3 S+ 0 0 61 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.733 92.8 41.3 -54.0 -25.5 240.9 86.2 218.9 243 293 A E G < S+ 0 0 149 -3,-0.7 2,-0.6 -4,-0.2 -1,-0.3 0.102 91.6 113.0-110.8 20.2 241.6 89.6 217.3 244 294 A V S < S- 0 0 14 -3,-2.6 5,-0.2 1,-0.1 -3,-0.0 -0.863 73.7-103.2-109.4 118.0 238.4 90.1 215.5 245 295 A S >> - 0 0 38 -2,-0.6 4,-1.8 1,-0.2 3,-1.2 0.095 19.8-134.4 -21.9 117.7 235.8 92.8 216.3 246 296 A E H 3> S+ 0 0 99 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.801 107.7 64.7 -50.3 -31.2 232.7 91.4 218.1 247 297 A E H 3> S+ 0 0 79 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.868 102.8 46.0 -60.4 -38.7 230.8 93.5 215.6 248 298 A V H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.905 109.3 52.7 -74.2 -43.2 232.0 91.3 212.8 249 299 A K H X S+ 0 0 30 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.929 108.9 52.4 -53.6 -44.9 231.4 88.1 214.5 250 300 A M H X S+ 0 0 88 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.819 106.5 53.1 -65.3 -30.9 227.9 89.3 215.1 251 301 A L H X S+ 0 0 0 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.917 111.4 44.2 -71.6 -41.3 227.5 90.0 211.4 252 302 A I H >X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 3,-1.2 0.960 110.2 56.2 -66.6 -47.6 228.5 86.5 210.4 253 303 A R H 3< S+ 0 0 92 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.882 108.0 49.4 -47.3 -45.1 226.3 85.1 213.1 254 304 A N H 3< S+ 0 0 64 -4,-1.9 10,-1.2 1,-0.2 3,-0.4 0.699 113.6 45.1 -71.7 -22.3 223.4 87.0 211.5 255 305 A L H << S+ 0 0 0 -3,-1.2 -55,-0.2 -4,-1.1 -2,-0.2 0.806 108.2 56.6 -85.9 -30.6 224.2 85.7 208.0 256 306 A L S < S+ 0 0 3 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.081 74.7 144.5 -94.7 28.2 224.7 82.2 209.1 257 307 A K - 0 0 66 -3,-0.4 6,-0.2 1,-0.1 -25,-0.1 -0.509 46.4-144.8 -67.0 123.7 221.3 81.9 210.6 258 308 A T S S+ 0 0 64 -2,-0.3 -1,-0.1 -27,-0.1 -26,-0.1 0.945 86.7 65.2 -49.9 -58.8 219.9 78.4 210.2 259 309 A E S >> S- 0 0 83 1,-0.2 3,-1.6 2,-0.1 4,-0.9 -0.610 81.1-145.7 -75.0 118.7 216.2 79.5 209.8 260 310 A P G >4 S+ 0 0 31 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.840 94.9 57.1 -58.5 -34.7 216.2 81.6 206.5 261 311 A T G 34 S+ 0 0 102 1,-0.2 -2,-0.1 -71,-0.1 -3,-0.0 0.726 104.2 55.5 -69.6 -18.1 213.5 84.1 207.7 262 312 A Q G <4 S+ 0 0 122 -3,-1.6 -1,-0.2 -5,-0.1 -4,-0.1 0.782 90.8 100.0 -75.9 -31.2 215.8 84.9 210.6 263 313 A R S << S- 0 0 33 -4,-0.9 -8,-0.2 -3,-0.6 -9,-0.1 -0.102 81.5 -95.9 -66.4 154.4 218.6 85.8 208.3 264 314 A M - 0 0 24 -10,-1.2 2,-0.2 -13,-0.1 -1,-0.1 -0.271 33.0-120.4 -68.6 148.0 219.6 89.3 207.2 265 315 A T > - 0 0 69 1,-0.1 4,-2.7 -69,-0.0 5,-0.1 -0.554 22.7-116.0 -81.2 155.2 218.4 91.0 204.1 266 316 A I H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.843 119.7 53.4 -51.5 -33.6 220.9 92.3 201.4 267 317 A T H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.970 107.9 46.4 -72.8 -49.4 219.6 95.7 202.2 268 318 A E H > S+ 0 0 111 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.897 111.6 56.7 -54.2 -39.4 220.2 95.4 205.9 269 319 A F H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 6,-0.3 0.982 105.3 47.0 -57.6 -59.1 223.6 94.0 204.9 270 320 A M H 3< S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.749 109.8 54.7 -63.6 -18.6 224.7 97.1 202.9 271 321 A N H 3< S+ 0 0 99 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.626 81.1 113.0 -89.8 -6.4 223.6 99.4 205.7 272 322 A H S XX S- 0 0 39 -3,-2.1 4,-3.6 -4,-0.8 3,-1.5 -0.446 73.9-128.0 -64.8 129.2 225.7 97.7 208.2 273 323 A P H 3> S+ 0 0 63 0, 0.0 4,-3.1 0, 0.0 -1,-0.1 0.817 106.1 56.0 -48.1 -42.7 228.6 100.0 209.4 274 324 A W H 34 S+ 0 0 1 1,-0.2 -4,-0.1 2,-0.2 7,-0.1 0.841 119.5 33.5 -64.5 -30.7 231.3 97.4 208.8 275 325 A I H X4 S+ 0 0 1 -3,-1.5 3,-1.0 -6,-0.3 -1,-0.2 0.868 119.8 49.1 -89.5 -40.6 230.2 97.2 205.2 276 326 A M H 3< S+ 0 0 86 -4,-3.6 3,-0.2 1,-0.3 -2,-0.2 0.805 112.2 49.2 -70.9 -29.5 229.1 100.8 204.8 277 327 A Q T 3< + 0 0 60 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.291 65.8 148.2-102.5 45.5 232.3 102.2 206.2 278 328 A S S X S+ 0 0 9 -3,-1.0 3,-1.4 1,-0.2 -1,-0.2 0.935 73.5 53.8 -36.9 -68.0 234.6 100.1 204.1 279 329 A T T 3 S+ 0 0 87 1,-0.2 2,-1.4 -3,-0.2 -1,-0.2 0.881 109.6 43.4 -23.7 -79.1 237.0 103.0 204.2 280 330 A K T 3 S+ 0 0 147 3,-0.0 -1,-0.2 2,-0.0 -2,-0.2 -0.140 79.4 124.9 -85.3 44.5 237.2 103.3 208.1 281 331 A V S < S- 0 0 5 -2,-1.4 -163,-0.2 -3,-1.4 -162,-0.0 -0.836 75.9 -86.7 -93.5 140.8 237.5 99.7 209.1 282 332 A P - 0 0 66 0, 0.0 -164,-0.7 0, 0.0 2,-0.3 -0.154 30.5-129.8 -46.9 132.9 240.5 98.8 211.3 283 333 A Q + 0 0 118 -166,-0.2 -167,-0.0 -167,-0.1 -3,-0.0 0.123 51.4 160.6 -67.4 19.5 243.7 98.0 209.2 284 334 A T - 0 0 30 -2,-0.3 -167,-2.5 -168,-0.2 2,-0.2 -0.231 42.4-114.7 -68.6 132.2 244.1 94.8 211.3 285 335 A P E -I 116 0C 97 0, 0.0 2,-0.3 0, 0.0 -169,-0.2 -0.398 31.4-160.9 -61.1 124.4 246.3 91.9 209.9 286 336 A L E -I 115 0C 11 -171,-1.2 -171,-0.8 -2,-0.2 3,-0.2 -0.743 22.2-135.7-107.4 158.1 244.4 88.6 209.2 287 337 A H S >> S+ 0 0 67 -80,-0.4 3,-1.7 -2,-0.3 4,-1.5 0.700 72.3 110.1 -78.8 -22.3 245.8 85.1 208.9 288 338 A T H 3> S+ 0 0 0 1,-0.3 4,-2.7 -81,-0.3 5,-0.2 0.608 73.8 47.1 -28.0 -61.8 243.8 84.3 205.7 289 339 A S H 3> S+ 0 0 4 -3,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.862 115.7 44.8 -56.9 -44.7 246.5 84.2 203.1 290 340 A R H X4 S+ 0 0 147 -3,-1.7 3,-0.5 2,-0.2 4,-0.4 0.960 113.4 48.9 -67.6 -50.3 248.9 82.0 205.1 291 341 A V H >< S+ 0 0 40 -4,-1.5 3,-1.8 1,-0.3 -2,-0.2 0.878 105.9 58.4 -56.7 -44.3 246.2 79.6 206.3 292 342 A L H 3< S+ 0 0 26 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.886 92.1 69.5 -49.7 -43.5 244.9 79.2 202.7 293 343 A K T << S+ 0 0 109 -4,-1.3 2,-0.7 -3,-0.5 -1,-0.3 0.650 81.5 87.8 -55.5 -17.0 248.4 78.0 201.7 294 344 A E < + 0 0 130 -3,-1.8 2,-0.1 -4,-0.4 -1,-0.1 -0.789 67.2 92.2 -88.1 110.5 247.7 74.8 203.7 295 345 A D 0 0 130 -2,-0.7 -2,-0.1 1,-0.0 -1,-0.0 -0.480 360.0 360.0-157.5-134.6 246.0 72.3 201.4 296 346 A K 0 0 238 -2,-0.1 -1,-0.0 0, 0.0 -2,-0.0 0.957 360.0 360.0 -53.9 360.0 246.3 69.3 198.9