==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-08 3CXW . COMPND 2 MOLECULE: PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.FILIPPAKOPOULOS,A.BULLOCK,O.FEDOROV,K.HUBER,F.BRACHER,A.C. . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 64.9 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 . 53 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 21 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 27.7 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 0 3 0 2 1 1 0 0 0 0 0 0 0 1 0 1 0 0 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 . 2 1 2 1 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 . 2 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 33 A P >> 0 0 136 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 118.3 17.8 58.7 -1.0 2 34 A L H 3> + 0 0 22 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.904 360.0 50.9 -56.2 -54.3 19.2 57.3 2.2 3 35 A E H 34 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.703 109.9 53.2 -66.7 -18.8 16.2 57.7 4.6 4 36 A S H <4 S+ 0 0 76 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.917 108.3 46.6 -75.6 -44.7 13.9 55.9 2.0 5 37 A Q H < S+ 0 0 68 -4,-1.4 21,-2.3 -3,-0.2 22,-0.6 0.649 108.0 52.4 -82.4 -17.9 16.0 52.7 1.5 6 38 A Y E < -A 25 0A 12 -4,-1.2 2,-0.7 19,-0.2 19,-0.2 -0.969 63.3-144.6-126.7 135.5 16.9 51.7 5.1 7 39 A Q E -A 24 0A 74 17,-2.6 17,-1.9 -2,-0.4 2,-0.3 -0.876 29.7-140.4 -87.9 116.9 14.9 51.1 8.3 8 40 A V E +A 23 0A 90 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.619 26.0 174.6 -80.7 134.3 17.1 52.4 11.2 9 41 A G E - 0 0 30 13,-3.6 3,-0.1 -2,-0.3 -1,-0.1 -0.269 41.9 -21.0-114.2-150.0 17.1 50.4 14.4 10 42 A P E - 0 0 96 0, 0.0 12,-3.5 0, 0.0 -1,-0.3 -0.161 67.2-100.0 -63.7 144.7 19.1 50.6 17.6 11 43 A L E -A 21 0A 88 10,-0.3 10,-0.3 1,-0.1 3,-0.1 -0.497 32.9-171.7 -54.7 123.3 22.5 52.4 18.1 12 44 A L E - 0 0 100 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.720 60.0 -33.5 -92.3 -28.1 25.2 49.7 18.0 13 45 A G E -A 20 0A 26 7,-1.8 7,-3.2 2,-0.0 -1,-0.3 -0.974 50.8-166.2 179.8 164.8 28.1 51.9 19.1 14 46 A S E +A 19 0A 75 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.974 22.5 124.9-157.9 159.3 29.7 55.4 19.0 15 47 A G E > S-A 18 0A 46 3,-2.4 3,-0.9 -2,-0.3 -2,-0.0 -0.901 75.5 -26.4-177.9-147.0 33.0 57.1 19.7 16 48 A G T 3 S+ 0 0 74 -2,-0.3 3,-0.1 1,-0.2 268,-0.0 0.911 130.5 54.8 -49.4 -49.7 35.6 59.4 18.1 17 49 A F T 3 S- 0 0 70 1,-0.1 21,-0.6 20,-0.1 2,-0.3 0.754 116.6-103.5 -52.7 -36.6 34.7 58.0 14.7 18 50 A G E < -AB 15 37A 12 -3,-0.9 -3,-2.4 19,-0.2 2,-0.3 -0.989 51.0 -48.8 137.2-142.1 31.0 58.8 14.8 19 51 A S E -AB 14 36A 37 17,-1.8 17,-3.0 -2,-0.3 2,-0.4 -0.985 36.1-156.4-141.3 143.3 27.9 56.5 15.5 20 52 A V E -AB 13 35A 27 -7,-3.2 -8,-2.9 -2,-0.3 -7,-1.8 -0.985 10.8-167.4-129.4 138.2 26.7 53.2 14.1 21 53 A Y E -AB 11 34A 75 13,-2.3 13,-2.6 -2,-0.4 -10,-0.3 -0.848 27.1-112.2-120.6 150.5 23.1 51.8 14.0 22 54 A S E + B 0 33A 19 -12,-3.5 -13,-3.6 -2,-0.3 2,-0.3 -0.585 49.7 167.8 -71.4 143.8 21.5 48.5 13.3 23 55 A G E -AB 8 32A 1 9,-2.2 9,-2.4 -15,-0.3 2,-0.4 -0.969 30.2-142.2-152.0 170.4 19.5 48.7 10.1 24 56 A I E -AB 7 31A 65 -17,-1.9 -17,-2.6 -2,-0.3 2,-0.6 -0.997 25.9-120.5-135.5 139.1 17.7 46.7 7.6 25 57 A R E >> -A 6 0A 53 5,-2.5 4,-2.7 -2,-0.4 3,-0.8 -0.732 18.3-151.2 -77.3 121.1 17.5 47.3 3.8 26 58 A V T 34 S+ 0 0 89 -21,-2.3 -1,-0.2 -2,-0.6 -20,-0.1 0.879 90.0 69.2 -59.9 -39.4 13.8 47.8 3.0 27 59 A S T 34 S- 0 0 78 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.800 130.8 -10.2 -51.0 -39.8 14.4 46.5 -0.5 28 60 A D T <4 S- 0 0 85 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.256 92.2-105.6-148.9 15.9 15.0 42.9 0.8 29 61 A N < + 0 0 124 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.598 58.9 163.9 63.8 15.2 15.4 42.9 4.6 30 62 A L - 0 0 60 -5,-0.4 -5,-2.5 -6,-0.1 -1,-0.2 -0.443 41.7-116.9 -64.4 128.8 19.2 42.5 4.5 31 63 A P E +B 24 0A 36 0, 0.0 58,-1.7 0, 0.0 2,-0.3 -0.453 44.1 171.6 -65.7 139.5 20.7 43.3 7.8 32 64 A V E -BC 23 88A 0 -9,-2.4 -9,-2.2 56,-0.3 2,-0.4 -0.932 33.5-128.3-142.6 161.5 23.1 46.3 7.6 33 65 A A E -BC 22 87A 12 54,-2.7 54,-2.9 -2,-0.3 2,-0.7 -0.964 20.3-149.9-111.7 132.3 25.1 48.6 9.9 34 66 A I E -BC 21 86A 4 -13,-2.6 -13,-2.3 -2,-0.4 2,-0.5 -0.932 15.5-166.3-108.0 110.1 24.5 52.3 9.2 35 67 A K E -BC 20 85A 16 50,-3.1 50,-3.4 -2,-0.7 2,-0.6 -0.891 6.5-161.0-109.3 121.4 27.7 54.2 10.1 36 68 A H E -BC 19 84A 41 -17,-3.0 -17,-1.8 -2,-0.5 2,-0.5 -0.879 7.9-172.3-104.9 115.1 27.7 58.0 10.4 37 69 A V E -BC 18 83A 10 46,-3.0 46,-2.5 -2,-0.6 2,-0.2 -0.953 20.9-131.3-111.8 119.2 31.1 59.7 10.1 38 70 A E E >> - C 0 82A 115 -21,-0.6 3,-1.3 -2,-0.5 4,-0.6 -0.502 9.0-136.9 -67.5 134.4 31.3 63.4 10.9 39 71 A K G >4 S+ 0 0 47 42,-3.1 3,-1.2 1,-0.3 43,-0.1 0.878 102.3 64.3 -60.8 -36.3 33.2 65.5 8.3 40 72 A D G 34 S+ 0 0 103 41,-0.5 -1,-0.3 1,-0.3 42,-0.1 0.730 105.8 43.6 -58.9 -27.2 34.9 67.4 11.1 41 73 A R G <4 S+ 0 0 68 -3,-1.3 2,-0.7 -24,-0.1 -1,-0.3 0.506 84.7 106.5-101.1 -3.7 36.7 64.2 12.2 42 74 A I << + 0 0 22 -3,-1.2 3,-0.1 -4,-0.6 113,-0.0 -0.681 38.6 169.0 -76.2 113.8 37.6 62.9 8.7 43 75 A S + 0 0 82 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.842 60.0 51.7 -89.6 -45.4 41.4 63.5 8.6 44 76 A D - 0 0 69 111,-0.2 11,-3.2 114,-0.0 12,-0.4 -0.886 67.7-170.5-107.5 126.5 42.3 61.5 5.5 45 77 A W E -E 54 0B 68 -2,-0.5 2,-0.2 9,-0.3 7,-0.0 -0.858 2.6-172.1-118.8 144.6 40.5 62.0 2.2 46 78 A G E -E 53 0B 12 7,-3.3 7,-2.0 -2,-0.3 2,-0.4 -0.650 20.2-119.5-122.0-176.1 40.6 60.1 -1.1 47 79 A E E -E 52 0B 81 5,-0.2 5,-0.2 -2,-0.2 -2,-0.0 -0.988 11.1-152.2-134.5 120.0 39.2 60.6 -4.6 48 80 A L 0 0 34 3,-2.3 10,-0.0 -2,-0.4 9,-0.0 -0.768 360.0 360.0 -85.7 136.5 36.8 58.3 -6.5 49 81 A P 0 0 176 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.988 360.0 360.0 -60.9 360.0 37.2 58.4 -10.3 50 ! 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 51 84 A T 0 0 79 0, 0.0 -3,-2.3 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 151.2 34.4 62.7 -6.0 52 85 A R E +E 47 0B 170 -5,-0.2 -5,-0.2 -7,-0.0 3,-0.0 -0.805 360.0 160.5 -87.1 112.5 36.1 63.7 -2.7 53 86 A V E -E 46 0B 0 -7,-2.0 -7,-3.3 -2,-0.7 2,-0.0 -0.849 46.5 -82.9-125.7 162.4 35.4 61.0 -0.1 54 87 A P E >> -E 45 0B 4 0, 0.0 4,-1.5 0, 0.0 3,-1.0 -0.377 39.4-120.1 -53.5 140.9 36.8 59.8 3.2 55 88 A M H 3> S+ 0 0 26 -11,-3.2 4,-2.7 1,-0.2 5,-0.3 0.887 114.3 67.8 -52.0 -36.1 39.9 57.6 2.7 56 89 A E H 3> S+ 0 0 19 -12,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.892 99.2 48.9 -49.5 -41.7 37.8 55.0 4.6 57 90 A V H <> S+ 0 0 0 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.911 110.9 49.9 -69.4 -42.5 35.4 54.8 1.6 58 91 A V H X S+ 0 0 20 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.918 113.5 45.2 -57.6 -48.5 38.3 54.4 -0.8 59 92 A L H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.914 112.5 51.5 -65.3 -44.2 39.9 51.6 1.2 60 93 A L H X S+ 0 0 2 -4,-2.6 4,-0.9 -5,-0.3 13,-0.3 0.898 109.6 49.5 -60.2 -41.8 36.5 49.9 1.7 61 94 A K H < S+ 0 0 101 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.903 108.3 54.4 -65.6 -39.0 35.8 49.9 -2.0 62 95 A K H < S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 115.3 38.4 -62.8 -35.6 39.3 48.5 -2.7 63 96 A V H < S+ 0 0 2 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.459 87.7 123.4 -94.2 -3.8 38.6 45.5 -0.3 64 97 A S < + 0 0 52 -4,-0.9 2,-0.3 -3,-0.5 8,-0.1 -0.361 37.5 110.2 -59.5 127.8 34.9 45.1 -1.4 65 98 A S S S- 0 0 50 2,-0.2 5,-0.1 5,-0.2 -2,-0.0 -0.977 80.9 -76.7-179.0-178.9 34.3 41.5 -2.7 66 99 A G S S+ 0 0 80 -2,-0.3 2,-0.5 2,-0.0 -2,-0.1 0.557 91.1 109.1 -77.5 -10.8 32.6 38.1 -2.0 67 100 A F > - 0 0 77 1,-0.1 3,-0.9 -4,-0.1 -2,-0.2 -0.602 61.3-154.0 -69.3 119.4 35.3 37.2 0.4 68 101 A S T 3 S+ 0 0 34 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.536 74.5 88.9 -73.9 -12.5 33.6 37.3 3.8 69 102 A G T 3 S+ 0 0 4 81,-0.1 82,-2.5 2,-0.1 2,-0.4 0.679 88.8 48.3 -69.3 -17.6 36.8 38.0 5.8 70 103 A V B < S-f 151 0C 3 -3,-0.9 -5,-0.2 80,-0.3 82,-0.2 -0.952 97.0-100.9-121.9 138.2 36.4 41.8 5.5 71 104 A I - 0 0 7 80,-2.6 2,-0.5 -2,-0.4 -8,-0.1 -0.273 39.8-130.8 -50.6 137.4 33.2 43.9 6.1 72 105 A R - 0 0 43 16,-0.1 16,-2.0 -8,-0.1 2,-0.6 -0.895 4.6-139.3 -98.3 126.8 31.5 44.8 2.7 73 106 A L E -D 87 0A 13 -2,-0.5 14,-0.2 -13,-0.3 3,-0.1 -0.747 21.1-179.8 -76.9 117.1 30.5 48.4 2.0 74 107 A L E - 0 0 49 12,-2.8 2,-0.3 -2,-0.6 13,-0.2 0.776 62.0 -25.5 -89.1 -32.5 27.1 48.1 0.3 75 108 A D E -D 86 0A 58 11,-1.3 11,-2.9 2,-0.0 -1,-0.3 -0.975 54.6-152.1-169.6 167.1 26.6 51.8 -0.3 76 109 A W E -D 85 0A 53 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.983 6.3-164.9-154.5 157.1 27.5 55.3 0.9 77 110 A F E -D 84 0A 38 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.951 14.9-132.7-141.3 151.8 25.9 58.8 1.0 78 111 A E E +D 83 0A 115 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.914 22.4 179.0-110.0 138.9 27.0 62.3 1.6 79 112 A R - 0 0 87 3,-3.4 -2,-0.0 -2,-0.4 0, 0.0 -0.766 47.2 -90.6-123.0 174.9 25.2 64.8 3.9 80 113 A P S S+ 0 0 107 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.882 122.1 12.5 -54.1 -41.2 26.0 68.4 4.8 81 114 A D S S+ 0 0 122 -42,-0.1 -42,-3.1 -43,-0.0 -41,-0.5 0.389 128.3 31.3-121.4 3.6 28.1 67.5 7.8 82 115 A S E -C 38 0A 17 -44,-0.3 -3,-3.4 -43,-0.1 2,-0.4 -0.939 61.1-125.9-148.9 168.1 28.6 63.8 7.5 83 116 A F E -CD 37 78A 0 -46,-2.5 -46,-3.0 -2,-0.3 2,-0.5 -0.949 22.7-150.2-109.0 141.9 29.1 60.7 5.4 84 117 A V E -CD 36 77A 0 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.4 -0.970 11.1-164.2-111.5 124.7 26.8 57.7 6.0 85 118 A L E -CD 35 76A 1 -50,-3.4 -50,-3.1 -2,-0.5 2,-0.6 -0.925 8.8-149.2-110.4 131.2 28.3 54.3 5.2 86 119 A I E -CD 34 75A 0 -11,-2.9 -12,-2.8 -2,-0.4 -11,-1.3 -0.899 21.6-176.9-102.8 119.0 26.1 51.2 4.7 87 120 A L E -CD 33 73A 17 -54,-2.9 -54,-2.7 -2,-0.6 -14,-0.2 -0.836 31.5-106.8-116.5 150.8 27.9 48.0 5.8 88 121 A E E -C 32 0A 45 -16,-2.0 -56,-0.3 -2,-0.3 -16,-0.1 -0.499 36.6-147.5 -74.2 146.4 26.7 44.4 5.7 89 122 A R - 0 0 40 -58,-1.7 2,-0.1 -2,-0.2 -1,-0.0 -0.959 3.4-139.2-123.4 121.0 25.9 43.1 9.1 90 123 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.442 26.8-127.3 -65.8 148.2 26.3 39.5 10.3 91 124 A E S S+ 0 0 123 1,-0.4 2,-0.1 -2,-0.1 52,-0.1 -0.966 90.8 25.9-148.3 122.5 23.4 38.2 12.5 92 125 A P S S+ 0 0 37 0, 0.0 52,-1.8 0, 0.0 53,-0.6 0.647 93.3 161.9 -74.4 151.7 23.9 37.0 15.2 93 126 A V E -G 143 0C 55 -3,-0.2 2,-0.3 50,-0.2 50,-0.2 -0.927 24.5-179.3-136.4 151.6 27.2 38.7 15.9 94 127 A Q E -G 142 0C 38 48,-1.4 48,-2.8 -2,-0.3 2,-0.1 -0.957 31.8-118.6-145.3 140.1 29.5 39.6 18.7 95 128 A D E > -G 141 0C 26 -2,-0.3 4,-2.2 46,-0.2 46,-0.2 -0.434 27.2-116.6 -74.3 154.4 32.8 41.6 18.5 96 129 A L H > S+ 0 0 0 44,-2.8 4,-2.5 41,-1.0 42,-0.2 0.798 111.9 61.1 -67.3 -25.7 36.0 39.8 19.6 97 130 A F H > S+ 0 0 14 40,-0.9 4,-2.7 43,-0.3 -1,-0.2 0.975 109.5 39.9 -60.6 -56.0 36.5 42.2 22.5 98 131 A D H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 112.8 56.7 -61.8 -37.9 33.2 41.3 24.2 99 132 A F H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.950 111.5 41.9 -61.0 -47.3 33.7 37.6 23.3 100 133 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.921 112.7 53.8 -66.6 -44.1 37.1 37.6 25.1 101 134 A T H < S+ 0 0 74 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.921 116.8 38.4 -50.6 -47.2 35.8 39.6 28.0 102 135 A E H < S+ 0 0 139 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.857 127.5 32.0 -76.6 -39.3 32.9 37.2 28.6 103 136 A R H < S- 0 0 116 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.642 94.6-150.6 -95.1 -12.5 34.8 33.9 27.9 104 137 A G < + 0 0 28 -4,-2.7 -1,-0.3 -5,-0.3 101,-0.2 -0.387 60.3 8.4 69.9-156.4 38.2 34.8 29.1 105 138 A A S S- 0 0 37 99,-0.3 2,-0.3 98,-0.1 98,-0.2 -0.261 83.5-126.0 -57.3 128.3 41.4 33.2 27.7 106 139 A L - 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0 0 3 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.226 35.0-127.1 -69.9 155.5 46.6 42.4 25.8 208 241 A P S S+ 0 0 11 0, 0.0 2,-0.4 0, 0.0 13,-0.1 0.848 84.5 44.7 -75.8 -30.6 50.3 42.2 27.1 209 242 A F + 0 0 9 -36,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.921 37.0 162.0-128.3 139.1 51.0 45.9 27.3 210 243 A E + 0 0 56 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.588 69.8 60.3-113.8 -31.7 49.3 49.1 28.5 211 244 A H S >> S- 0 0 105 1,-0.1 4,-2.1 -38,-0.1 3,-0.8 -0.768 78.7-123.2-113.9 147.2 52.3 51.4 28.8 212 245 A D H 3> S+ 0 0 55 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.859 113.5 55.5 -46.7 -42.3 54.9 52.8 26.3 213 246 A E H 3> S+ 0 0 128 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.814 107.6 48.6 -65.6 -35.1 57.7 51.4 28.5 214 247 A E H <> S+ 0 0 78 -3,-0.8 4,-0.6 2,-0.2 5,-0.4 0.900 109.3 53.0 -67.6 -44.6 56.2 47.9 28.3 215 248 A I H < S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.899 117.9 35.9 -58.3 -46.4 55.8 48.2 24.5 216 249 A I H < S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.647 99.5 82.9 -83.5 -14.6 59.4 49.1 23.9 217 250 A G H < S- 0 0 47 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.740 84.4-138.8 -66.4 -26.1 60.8 46.9 26.7 218 251 A G < + 0 0 35 -4,-0.6 2,-0.5 -3,-0.4 22,-0.1 0.691 59.3 122.2 76.5 15.5 60.9 43.6 24.7 219 252 A Q - 0 0 160 -5,-0.4 2,-0.6 2,-0.0 -1,-0.2 -0.963 40.7-167.6-111.0 126.6 59.6 41.3 27.5 220 253 A V - 0 0 13 -2,-0.5 2,-0.5 -3,-0.1 15,-0.1 -0.921 8.2-169.6-112.5 101.8 56.5 39.2 27.0 221 254 A F - 0 0 158 -2,-0.6 2,-0.6 -13,-0.1 -2,-0.0 -0.823 15.8-139.2 -89.2 129.9 55.3 37.7 30.3 222 255 A F - 0 0 24 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.843 17.5-174.5 -95.4 120.0 52.6 35.1 30.0 223 256 A R S S+ 0 0 69 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.595 71.5 46.9 -89.1 -16.6 49.8 35.3 32.6 224 257 A Q S S- 0 0 100 0, 0.0 2,-0.6 0, 0.0 -20,-0.1 -0.820 101.0 -89.2-117.9 159.9 48.1 32.1 31.4 225 258 A R + 0 0 202 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.654 56.0 172.2 -65.1 113.7 49.4 28.6 30.6 226 259 A V - 0 0 3 -2,-0.6 -4,-0.1 -4,-0.1 -22,-0.0 -0.988 35.9-102.9-128.2 138.6 50.2 28.9 26.8 227 260 A S > - 0 0 21 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.139 28.4-117.3 -57.2 150.4 52.0 26.2 24.8 228 261 A S H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.865 115.4 53.6 -57.0 -38.6 55.6 26.7 24.0 229 262 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.894 110.6 46.0 -67.3 -40.8 54.8 26.8 20.2 230 263 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 111.6 50.9 -69.0 -45.0 52.2 29.5 20.7 231 264 A Q H X S+ 0 0 44 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.886 108.9 53.7 -56.1 -39.7 54.5 31.6 22.9 232 265 A H H X S+ 0 0 103 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.934 109.0 46.9 -59.9 -50.7 57.2 31.3 20.3 233 266 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.925 113.3 49.4 -56.2 -48.0 54.9 32.6 17.5 234 267 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.927 111.8 47.2 -58.5 -48.0 53.8 35.5 19.7 235 268 A R H < S+ 0 0 109 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.825 110.3 53.4 -69.9 -27.4 57.3 36.5 20.7 236 269 A W H >< S+ 0 0 72 -4,-2.1 3,-1.6 2,-0.2 -2,-0.2 0.938 109.5 47.7 -71.3 -45.1 58.4 36.3 17.0 237 270 A C H 3< S+ 0 0 0 -4,-2.7 -41,-0.2 1,-0.3 -2,-0.2 0.806 113.4 50.8 -59.2 -32.3 55.5 38.6 16.0 238 271 A L T 3< S+ 0 0 8 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.093 76.8 145.2 -98.7 24.2 56.6 40.9 18.9 239 272 A A < - 0 0 19 -3,-1.6 6,-0.1 1,-0.1 -3,-0.1 -0.329 52.0-135.2 -57.0 134.0 60.2 41.0 18.0 240 273 A L S S+ 0 0 76 -22,-0.1 -62,-0.2 4,-0.1 -1,-0.1 0.912 92.3 68.7 -61.9 -43.7 61.6 44.5 18.9 241 274 A R S > S- 0 0 38 1,-0.1 3,-2.0 -64,-0.1 4,-0.4 -0.701 81.9-143.0 -78.3 118.7 63.4 44.8 15.5 242 275 A P G > S+ 0 0 44 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.856 100.6 54.9 -48.6 -40.5 60.8 45.1 12.7 243 276 A S G 3 S+ 0 0 113 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.631 98.7 62.7 -73.0 -14.5 62.9 43.0 10.3 244 277 A D G < S+ 0 0 97 -3,-2.0 -1,-0.3 -5,-0.1 -4,-0.1 0.545 85.6 97.2 -77.7 -12.3 63.1 40.1 13.0 245 278 A R S < S- 0 0 15 -3,-1.4 -8,-0.2 -4,-0.4 2,-0.1 -0.465 81.2-106.6 -77.1 149.4 59.2 39.7 12.7 246 279 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.360 24.5-118.5 -70.3 157.1 57.8 37.0 10.5 247 280 A T > - 0 0 74 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.358 36.9-101.1 -72.4 170.4 56.1 37.5 7.2 248 281 A F H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 127.5 53.8 -61.0 -40.7 52.4 36.4 6.9 249 282 A E H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 107.8 48.6 -57.6 -46.3 53.7 33.3 5.1 250 283 A E H > S+ 0 0 82 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.893 112.0 49.9 -61.9 -38.1 56.0 32.5 8.0 251 284 A I H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 6,-0.3 0.955 112.8 45.3 -64.8 -49.9 53.2 33.0 10.5 252 285 A Q H 3< S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.749 113.9 50.3 -72.3 -19.3 50.8 30.7 8.6 253 286 A N H 3< S+ 0 0 116 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.449 84.7 118.1 -90.1 -5.5 53.6 28.1 8.1 254 287 A H S X< S- 0 0 7 -3,-1.3 3,-1.6 -4,-0.5 4,-0.3 -0.316 76.1-120.5 -61.2 141.5 54.4 28.2 11.8 255 288 A P G > S+ 0 0 53 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.854 111.8 59.8 -54.3 -35.8 53.9 24.8 13.6 256 289 A W G 3 S+ 0 0 8 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.754 101.4 57.0 -62.1 -24.1 51.3 26.3 16.0 257 290 A M G < S+ 0 0 2 -3,-1.6 3,-0.4 -6,-0.3 -1,-0.2 0.431 82.7 114.4 -89.1 0.6 49.2 27.3 13.0 258 291 A Q S < S+ 0 0 117 -3,-1.4 -5,-0.1 -4,-0.3 -146,-0.0 -0.340 70.4 19.6 -77.9 151.2 48.9 23.8 11.6 259 292 A D S S- 0 0 153 1,-0.2 -1,-0.2 -2,-0.1 -147,-0.1 0.894 80.2-169.6 62.4 46.5 45.6 21.8 11.4 260 293 A V - 0 0 41 -3,-0.4 -1,-0.2 1,-0.1 2,-0.2 -0.358 22.3-113.1 -64.0 141.4 43.3 24.8 11.7 261 294 A L - 0 0 26 -152,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.475 30.1-113.1 -64.0 146.3 39.5 24.2 12.2 262 295 A L > - 0 0 84 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.439 31.1-109.4 -68.2 154.9 37.1 25.1 9.4 263 296 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.898 120.2 51.2 -56.7 -37.9 34.8 28.0 10.3 264 297 A Q H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.923 110.8 47.9 -70.9 -38.4 31.8 25.7 10.4 265 298 A E H > S+ 0 0 77 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.875 109.3 55.6 -61.7 -39.0 33.7 23.3 12.8 266 299 A T H X>S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.6 0.922 109.1 45.6 -60.6 -47.8 34.6 26.3 14.9 267 300 A A H X>S+ 0 0 1 -4,-2.3 5,-2.5 -121,-0.3 4,-2.0 0.939 115.0 48.3 -58.4 -48.9 31.0 27.3 15.3 268 301 A E H <5S+ 0 0 135 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.914 120.8 33.4 -61.1 -48.4 29.9 23.7 16.1 269 302 A I H <5S+ 0 0 97 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.908 136.3 15.5 -76.3 -43.7 32.6 23.0 18.7 270 303 A H H <5S+ 0 0 15 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.663 125.7 36.4-112.1 -19.0 33.0 26.4 20.3 271 304 A L T <