==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-10 3PXR . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 60.9 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 . 37 12.6 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.5 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 3 1 0 1 0 1 1 0 1 0 0 0 1 0 0 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 . 0 1 1 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 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 1 A M > 0 0 99 0, 0.0 3,-3.3 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -23.8 79.1 -58.3 120.5 2 2 A E T 3 + 0 0 169 1,-0.3 4,-0.0 3,-0.1 22,-0.0 0.551 360.0 73.8 -59.0 -3.6 79.1 -62.0 121.4 3 3 A N T 3 S+ 0 0 115 21,-0.1 21,-3.1 20,-0.1 22,-0.6 0.600 93.9 62.7 -82.2 -15.3 77.6 -60.6 124.7 4 4 A F E < S-A 23 0A 19 -3,-3.3 2,-0.7 19,-0.3 19,-0.3 -0.763 85.5-120.1-111.5 157.3 74.4 -60.0 122.9 5 5 A Q E S-A 22 0A 75 17,-3.3 17,-0.7 -2,-0.3 -3,-0.1 -0.882 78.3 -40.4-101.0 114.4 71.9 -62.4 121.1 6 6 A K E S- 0 0 174 -2,-0.7 2,-0.2 1,-0.1 -1,-0.2 0.851 71.9-149.1 28.6 92.9 71.5 -61.6 117.4 7 7 A V E - 0 0 38 -3,-0.2 2,-0.4 14,-0.1 14,-0.2 -0.605 10.5-154.3 -83.8 145.4 71.4 -57.9 117.4 8 8 A E E -A 20 0A 94 12,-2.4 12,-2.5 -2,-0.2 -2,-0.0 -0.985 17.0-112.6-131.4 134.1 69.3 -56.2 114.6 9 9 A K E +A 19 0A 129 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.210 33.1 168.8 -57.3 143.4 69.6 -52.8 112.9 10 10 A I E - 0 0 66 8,-2.7 2,-0.2 1,-0.4 9,-0.2 0.179 57.9 -34.3-143.1 15.5 66.8 -50.4 113.6 11 11 A G E -A 18 0A 31 7,-0.6 7,-2.6 2,-0.0 2,-0.5 -0.850 55.2 -90.7 151.0 172.8 68.1 -47.1 112.2 12 12 A E E -A 17 0A 78 5,-0.2 5,-0.3 -2,-0.2 2,-0.1 -0.974 37.0-166.7-122.9 118.6 70.9 -44.6 111.5 13 13 A G - 0 0 15 3,-3.5 146,-0.1 -2,-0.5 -2,-0.0 -0.306 39.7 -92.9 -94.8-179.2 71.8 -42.0 114.0 14 14 A T S S+ 0 0 13 1,-0.2 145,-0.1 -2,-0.1 3,-0.1 0.916 126.6 30.0 -57.9 -45.7 74.0 -38.8 113.8 15 15 A Y S S- 0 0 23 1,-0.2 21,-2.0 140,-0.1 2,-0.3 0.755 130.1 -49.9 -88.3 -28.4 77.0 -40.7 115.0 16 16 A G S S- 0 0 1 19,-0.2 -3,-3.5 20,-0.1 -1,-0.2 -0.984 76.6 -33.2 178.5-169.4 76.3 -44.2 113.7 17 17 A V E -A 12 0A 9 -2,-0.3 17,-2.0 -5,-0.3 2,-0.5 -0.468 48.2-143.4 -75.0 142.9 74.0 -47.1 113.3 18 18 A V E -AB 11 33A 34 -7,-2.6 -8,-2.7 15,-0.2 -7,-0.6 -0.928 18.8-171.9-110.7 129.1 71.5 -48.0 116.1 19 19 A Y E -AB 9 32A 46 13,-3.2 13,-3.5 -2,-0.5 2,-0.5 -0.828 22.7-134.7-119.4 158.0 70.7 -51.6 116.9 20 20 A K E +AB 8 31A 68 -12,-2.5 -12,-2.4 -2,-0.3 2,-0.3 -0.929 39.6 172.3-107.1 133.0 68.2 -53.4 119.2 21 21 A A E - B 0 30A 4 9,-2.7 9,-3.5 -2,-0.5 2,-0.5 -0.986 31.8-138.0-146.7 155.4 69.9 -56.1 121.1 22 22 A R E -AB 5 29A 105 -17,-0.7 -17,-3.3 -2,-0.3 2,-0.4 -0.962 27.4-124.9-115.6 128.2 69.4 -58.6 123.9 23 23 A N E > -A 4 0A 38 5,-2.9 4,-2.0 -2,-0.5 -19,-0.3 -0.566 15.2-143.4 -69.9 124.6 72.1 -59.2 126.4 24 24 A K T 4 S+ 0 0 100 -21,-3.1 -1,-0.2 -2,-0.4 -20,-0.1 0.869 96.5 36.4 -57.1 -38.1 72.9 -62.9 126.4 25 25 A L T 4 S+ 0 0 166 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.929 126.4 31.5 -82.9 -52.5 73.4 -62.9 130.2 26 26 A T T 4 S- 0 0 90 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.768 91.4-136.6 -79.3 -27.6 70.9 -60.5 131.6 27 27 A G < + 0 0 39 -4,-2.0 -3,-0.1 1,-0.3 -1,-0.1 0.346 53.1 149.4 85.3 -6.9 68.2 -61.2 128.9 28 28 A E - 0 0 91 -6,-0.1 -5,-2.9 1,-0.1 2,-0.5 -0.296 45.0-136.8 -63.2 138.6 67.7 -57.4 128.8 29 29 A V E +B 22 0A 59 -7,-0.2 50,-0.6 -3,-0.1 2,-0.3 -0.883 36.8 166.4 -99.8 126.4 66.6 -55.8 125.5 30 30 A V E -BC 21 78A 5 -9,-3.5 -9,-2.7 -2,-0.5 2,-0.4 -0.828 39.8-108.0-136.1 171.4 68.6 -52.6 124.9 31 31 A A E -BC 20 77A 15 46,-2.8 46,-2.7 -2,-0.3 2,-0.5 -0.872 32.1-159.0-101.5 136.8 69.4 -50.0 122.2 32 32 A L E -BC 19 76A 1 -13,-3.5 -13,-3.2 -2,-0.4 2,-0.6 -0.966 7.1-171.3-123.1 118.1 73.0 -50.2 121.0 33 33 A K E -BC 18 75A 5 42,-2.9 42,-3.0 -2,-0.5 2,-0.6 -0.935 10.2-154.8-112.8 119.8 74.6 -47.2 119.3 34 34 A K E - C 0 74A 72 -17,-2.0 2,-0.5 -2,-0.6 40,-0.2 -0.817 17.0-141.3 -90.8 122.6 78.0 -47.6 117.6 35 35 A I E C 0 73A 13 38,-3.6 38,-0.8 -2,-0.6 -19,-0.2 -0.775 360.0 360.0 -89.2 123.4 79.7 -44.2 117.5 36 36 A R 0 0 113 -21,-2.0 -1,-0.2 -2,-0.5 -20,-0.1 0.938 360.0 360.0 -78.4 360.0 81.6 -43.6 114.3 37 ! 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 38 41 A T 0 0 74 0, 0.0 2,-0.4 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 156.4 88.1 -43.6 114.4 39 42 A E - 0 0 203 1,-0.2 32,-0.1 32,-0.0 0, 0.0 0.072 360.0 -66.5 -73.0 27.5 91.5 -42.0 115.1 40 43 A G S S- 0 0 26 -2,-0.4 31,-0.2 31,-0.3 -1,-0.2 0.443 83.4 -88.9 100.2 1.9 91.6 -44.0 118.3 41 44 A V - 0 0 19 30,-0.2 2,-0.2 1,-0.1 30,-0.1 0.803 49.6 -88.1 60.8 120.4 88.6 -42.2 119.8 42 45 A P > - 0 0 70 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.348 23.1-150.0 -60.6 124.3 89.2 -39.0 122.0 43 46 A S H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.840 99.5 62.0 -61.0 -34.5 89.9 -39.7 125.7 44 47 A T H > S+ 0 0 100 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.886 105.3 46.1 -59.0 -40.0 88.3 -36.3 126.3 45 48 A A H > S+ 0 0 4 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.875 106.7 59.2 -71.6 -38.9 85.0 -37.6 124.8 46 49 A I H X S+ 0 0 33 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.942 107.6 43.7 -55.9 -53.1 85.2 -40.8 126.8 47 50 A R H X S+ 0 0 163 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.869 115.4 49.4 -63.9 -36.3 85.2 -39.2 130.2 48 51 A E H X S+ 0 0 69 -4,-1.3 4,-0.9 -5,-0.2 3,-0.2 0.940 112.9 44.8 -69.3 -46.1 82.5 -36.7 129.2 49 52 A I H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.2 4,-0.5 0.933 109.7 58.8 -62.5 -41.2 80.2 -39.4 127.8 50 53 A S H >< S+ 0 0 38 -4,-2.6 3,-1.4 -5,-0.3 4,-0.2 0.847 97.9 59.1 -55.3 -38.0 80.9 -41.5 130.9 51 54 A L H >< S+ 0 0 65 -4,-1.5 3,-1.9 1,-0.3 4,-0.3 0.811 93.0 67.1 -62.6 -30.8 79.6 -38.8 133.2 52 55 A L G X< S+ 0 0 20 -3,-1.2 3,-1.4 -4,-0.9 11,-0.3 0.714 80.1 79.1 -64.8 -19.0 76.2 -39.0 131.5 53 56 A K G < S+ 0 0 85 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.790 91.4 54.0 -59.4 -23.8 75.8 -42.4 132.9 54 57 A E G < S+ 0 0 148 -3,-1.9 2,-1.7 -4,-0.2 -1,-0.3 0.642 79.3 101.8 -87.2 -12.4 74.9 -40.6 136.2 55 58 A L < + 0 0 15 -3,-1.4 2,-0.5 -4,-0.3 8,-0.3 -0.524 50.9 170.8 -72.8 86.0 72.1 -38.5 134.6 56 59 A N + 0 0 110 -2,-1.7 5,-0.1 6,-0.1 3,-0.0 -0.859 8.7 140.7-103.4 128.6 69.0 -40.4 135.7 57 60 A H > - 0 0 31 -2,-0.5 3,-2.1 3,-0.5 5,-0.1 -0.952 57.4-116.9-161.3 143.1 65.5 -39.0 135.3 58 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.778 117.0 46.4 -52.4 -30.4 62.2 -40.5 134.3 59 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.9 48,-0.1 2,-0.5 0.194 97.9 81.0-103.6 18.8 62.2 -38.3 131.1 60 63 A I B < S-e 140 0B 9 -3,-2.1 -3,-0.5 79,-0.3 2,-0.3 -0.988 86.3-116.2-123.2 126.2 65.7 -39.0 130.0 61 64 A V - 0 0 11 79,-2.7 81,-0.2 -2,-0.5 82,-0.2 -0.447 42.9-113.1 -62.5 120.5 66.6 -42.2 128.1 62 65 A K - 0 0 47 -2,-0.3 16,-2.2 1,-0.1 2,-1.0 -0.319 15.8-143.3 -64.2 127.7 68.9 -44.0 130.4 63 66 A L E +D 77 0A 10 -11,-0.3 14,-0.2 -8,-0.3 3,-0.1 -0.799 23.3 179.1 -88.9 101.8 72.5 -44.4 129.3 64 67 A L E - 0 0 53 12,-1.7 2,-0.3 -2,-1.0 13,-0.2 0.957 56.4 -6.7 -70.7 -53.5 73.3 -47.9 130.6 65 68 A D E -D 76 0A 88 11,-1.4 11,-3.1 2,-0.0 2,-0.5 -0.975 47.4-145.5-146.8 159.4 76.9 -48.5 129.5 66 69 A V E -D 75 0A 25 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.988 22.1-166.6-126.5 114.0 79.7 -47.0 127.5 67 70 A I E -D 74 0A 65 7,-3.0 7,-3.1 -2,-0.5 2,-0.5 -0.922 4.8-171.7-110.3 119.5 81.9 -49.6 125.8 68 71 A H E +D 73 0A 94 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.939 22.3 146.1-111.6 119.0 85.2 -48.6 124.3 69 72 A T E > -D 72 0A 74 3,-3.6 3,-2.2 -2,-0.5 -2,-0.0 -0.972 60.6 -5.5-155.7 139.4 87.0 -51.2 122.2 70 73 A E T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.912 129.2 -50.0 42.2 60.6 89.3 -51.3 119.1 71 74 A N T 3 S+ 0 0 81 -31,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.649 119.8 123.8 57.7 11.8 89.0 -47.6 118.4 72 75 A K E < - D 0 69A 73 -3,-2.2 -3,-3.6 -32,-0.1 2,-0.5 -0.868 47.1-163.8-112.4 140.8 85.3 -48.3 118.8 73 76 A L E -CD 35 68A 2 -38,-0.8 -38,-3.6 -2,-0.4 2,-0.4 -0.982 7.4-175.8-123.0 124.4 82.7 -46.7 121.0 74 77 A Y E -CD 34 67A 47 -7,-3.1 -7,-3.0 -2,-0.5 2,-0.5 -0.952 10.8-154.8-120.2 138.5 79.4 -48.3 121.7 75 78 A L E -CD 33 66A 0 -42,-3.0 -42,-2.9 -2,-0.4 2,-0.6 -0.959 6.3-153.7-115.2 127.9 76.7 -46.7 123.8 76 79 A V E +CD 32 65A 8 -11,-3.1 -12,-1.7 -2,-0.5 -11,-1.4 -0.913 21.1 177.7-104.6 123.7 74.1 -48.9 125.5 77 80 A F E -CD 31 63A 19 -46,-2.7 -46,-2.8 -2,-0.6 -14,-0.2 -0.840 37.6 -94.2-123.1 159.1 70.7 -47.3 126.2 78 81 A E E -C 30 0A 47 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.2 -0.392 50.7-120.1 -66.8 149.9 67.4 -48.3 127.6 79 82 A F + 0 0 43 -50,-0.6 2,-0.4 -49,-0.0 -50,-0.1 -0.799 30.6 180.0-101.8 138.9 65.1 -49.4 124.7 80 83 A L - 0 0 19 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.989 27.0-133.6-133.4 139.1 61.8 -47.8 123.9 81 84 A H S S+ 0 0 106 -2,-0.4 2,-0.3 51,-0.1 52,-0.1 0.712 76.8 28.2 -69.7 -24.4 59.6 -49.0 121.0 82 85 A Q E -F 132 0B 25 50,-1.2 50,-2.7 4,-0.0 2,-0.3 -0.964 58.7-144.5-142.8 157.4 58.6 -45.8 119.2 83 86 A D E > -F 131 0B 21 -2,-0.3 4,-2.2 48,-0.3 48,-0.2 -0.762 33.2-111.2-114.4 161.8 59.7 -42.2 118.6 84 87 A L H > S+ 0 0 0 46,-2.8 4,-2.5 43,-1.0 5,-0.2 0.767 114.2 60.8 -63.5 -25.9 57.6 -39.0 118.3 85 88 A K H > S+ 0 0 52 42,-0.7 4,-2.3 45,-0.3 -1,-0.2 0.962 109.3 41.6 -65.9 -46.9 58.3 -38.7 114.6 86 89 A K H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.921 115.4 51.5 -64.2 -43.9 56.7 -42.1 113.9 87 90 A F H X S+ 0 0 11 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.871 110.0 48.7 -61.9 -39.8 53.9 -41.3 116.3 88 91 A M H < S+ 0 0 16 -4,-2.5 4,-0.2 2,-0.2 -1,-0.2 0.917 111.7 48.7 -67.6 -42.1 53.2 -38.0 114.7 89 92 A D H >< S+ 0 0 96 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.914 113.1 49.1 -61.7 -40.6 53.1 -39.5 111.2 90 93 A A H 3< S+ 0 0 71 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.791 112.8 46.5 -66.6 -31.4 50.8 -42.2 112.6 91 94 A S T 3X S+ 0 0 16 -4,-1.6 4,-3.2 1,-0.2 3,-0.3 0.307 80.5 113.5 -93.5 7.5 48.6 -39.6 114.2 92 95 A A T <4 S+ 0 0 47 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.791 70.6 53.1 -48.3 -40.5 48.6 -37.5 111.0 93 96 A L T 4 S+ 0 0 151 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.920 127.7 14.0 -66.5 -48.9 44.9 -38.1 110.2 94 97 A T T 4 S- 0 0 124 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.2 0.587 103.1-126.9-104.2 -15.7 43.3 -36.9 113.5 95 98 A G < - 0 0 8 -4,-3.2 -3,-0.1 -7,-0.2 99,-0.1 0.151 37.9 -65.8 81.7 152.6 46.2 -35.1 115.1 96 99 A I - 0 0 13 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.619 63.4-107.7 -73.1 130.6 47.6 -35.8 118.6 97 100 A P >> - 0 0 76 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.316 25.6-117.0 -60.0 144.8 44.9 -34.8 121.1 98 101 A L H 3> S+ 0 0 63 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.846 112.9 57.4 -51.2 -42.4 45.7 -31.6 123.0 99 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.869 110.8 44.0 -59.8 -34.8 45.8 -33.4 126.4 100 103 A L H <> S+ 0 0 4 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.858 112.9 50.6 -76.8 -37.2 48.5 -35.7 125.1 101 104 A I H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.921 113.0 47.6 -61.7 -45.3 50.4 -32.9 123.4 102 105 A K H X S+ 0 0 12 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.887 111.7 49.6 -65.2 -39.9 50.3 -31.0 126.7 103 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.6 -5,-0.3 5,-0.2 0.942 112.8 47.1 -64.4 -46.7 51.4 -34.1 128.7 104 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.938 113.1 47.6 -61.0 -47.1 54.3 -34.7 126.3 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.920 112.0 51.3 -59.7 -43.3 55.4 -31.1 126.4 106 109 A F H X S+ 0 0 56 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.923 112.5 45.0 -60.4 -46.5 55.2 -31.0 130.2 107 110 A Q H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.900 112.0 52.1 -65.4 -40.4 57.3 -34.2 130.5 108 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.904 108.3 51.4 -65.0 -38.8 59.9 -32.9 128.0 109 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.861 108.7 51.4 -65.4 -36.1 60.3 -29.6 129.9 110 113 A Q H X S+ 0 0 61 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.929 110.8 48.6 -65.1 -45.0 60.9 -31.6 133.1 111 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 113.8 46.5 -59.7 -43.8 63.5 -33.6 131.4 112 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.906 110.1 53.1 -65.4 -42.0 65.1 -30.4 130.0 113 116 A A H X S+ 0 0 24 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.913 110.3 48.8 -59.9 -42.9 64.9 -28.7 133.5 114 117 A F H X S+ 0 0 42 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.967 114.1 43.8 -60.6 -55.0 66.8 -31.6 135.0 115 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.9 0.923 115.1 48.8 -57.6 -45.6 69.5 -31.7 132.4 116 119 A H H ><5S+ 0 0 29 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.839 105.2 57.0 -65.5 -34.2 70.0 -27.9 132.4 117 120 A S H 3<5S+ 0 0 78 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.686 109.5 48.6 -70.1 -16.1 70.1 -27.8 136.2 118 121 A H T <<5S- 0 0 83 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.177 121.3-110.2-104.7 12.5 73.1 -30.2 135.8 119 122 A R T < 5S+ 0 0 202 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.852 75.2 134.2 60.9 37.9 74.7 -28.1 133.2 120 123 A V < - 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0 0 15 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.239 29.2-140.0 -55.0 144.9 57.1 -28.8 110.7 199 202 A L S S+ 0 0 30 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.935 91.2 15.6 -75.5 -43.8 57.3 -25.1 111.7 200 203 A F + 0 0 2 -36,-0.3 2,-2.0 2,-0.1 -1,-0.2 -0.696 68.3 178.6-132.1 76.7 60.5 -24.2 109.9 201 204 A P + 0 0 40 0, 0.0 7,-0.0 0, 0.0 -37,-0.0 -0.391 16.9 179.8 -81.8 67.8 61.4 -26.9 107.4 202 205 A G - 0 0 5 -2,-2.0 -39,-0.4 1,-0.1 -38,-0.2 -0.334 25.0-159.1 -68.2 146.5 64.6 -25.3 106.0 203 206 A D S S+ 0 0 125 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.323 78.9 15.9-106.5 4.5 66.6 -27.0 103.3 204 207 A S S > S- 0 0 43 1,-0.1 4,-2.1 -41,-0.0 5,-0.2 -0.940 89.5 -96.6-162.1 168.4 69.8 -25.2 104.0 205 208 A E H > S+ 0 0 119 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.911 124.5 42.6 -64.0 -40.5 71.2 -23.0 106.8 206 209 A I H > S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.858 113.2 51.7 -72.9 -37.6 70.2 -19.7 105.1 207 210 A D H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 110.1 51.3 -65.1 -34.3 66.8 -21.1 104.1 208 211 A Q H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.941 111.6 46.6 -66.1 -46.9 66.3 -22.1 107.7 209 212 A L H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.937 113.5 47.4 -62.8 -45.8 67.2 -18.7 108.9 210 213 A F H X S+ 0 0 36 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.834 107.1 56.4 -68.9 -31.1 65.0 -16.9 106.4 211 214 A R H X S+ 0 0 86 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.928 110.9 45.7 -63.4 -40.4 62.0 -19.2 107.2 212 215 A I H >X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 3,-0.6 0.948 113.3 49.5 -64.7 -46.7 62.4 -18.1 110.8 213 216 A F H 3X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.897 107.2 55.4 -60.5 -40.4 62.7 -14.5 109.7 214 217 A R H 3< S+ 0 0 98 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.792 117.7 33.9 -63.6 -29.3 59.6 -14.7 107.5 215 218 A T H << S+ 0 0 36 -4,-1.2 28,-2.6 -3,-0.6 -2,-0.2 0.890 130.9 27.8 -93.4 -47.2 57.4 -15.9 110.4 216 219 A L H < S- 0 0 5 -4,-3.0 26,-0.3 26,-0.2 -3,-0.2 0.482 115.5-104.1 -96.0 -1.6 58.8 -14.1 113.4 217 220 A G < - 0 0 6 -4,-1.8 24,-0.2 -5,-0.4 -1,-0.2 0.154 43.7 -68.6 92.5 147.7 60.1 -11.1 111.6 218 221 A T - 0 0 20 22,-2.5 24,-0.1 -4,-0.1 2,-0.1 -0.559 63.4-117.8 -68.2 127.2 63.7 -10.3 110.8 219 222 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.383 37.2 179.9 -70.0 149.8 65.4 -9.6 114.2 220 223 A D > - 0 0 74 -2,-0.1 4,-2.6 -3,-0.0 7,-0.2 -0.777 46.9 -84.4-135.6 179.4 66.8 -6.1 114.9 221 224 A E T 4 S+ 0 0 82 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.695 121.4 61.3 -62.2 -21.8 68.6 -4.4 117.8 222 225 A V T 4 S+ 0 0 121 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.983 117.0 26.0 -70.0 -55.3 65.2 -3.6 119.5 223 226 A V T 4 S+ 0 0 68 1,-0.2 44,-0.4 -3,-0.1 -2,-0.2 0.773 137.0 28.2 -81.0 -25.3 64.1 -7.2 119.9 224 227 A W S >< S- 0 0 11 -4,-2.6 3,-2.4 42,-0.1 4,-0.3 -0.709 78.9-149.8-138.9 83.7 67.5 -8.8 120.1 225 228 A P T 3 S+ 0 0 73 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.325 86.0 17.7 -54.8 129.3 70.3 -6.5 121.4 226 229 A G T > S+ 0 0 29 4,-0.0 3,-2.0 0, 0.0 4,-0.2 0.212 86.4 118.7 93.6 -13.9 73.6 -7.5 119.8 227 230 A V G X + 0 0 0 -3,-2.4 3,-1.8 1,-0.3 6,-0.1 0.868 69.7 58.8 -54.8 -38.5 72.1 -9.5 116.9 228 231 A T G 3 S+ 0 0 62 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.535 104.4 52.5 -71.5 -3.1 73.6 -7.2 114.3 229 232 A S G < S+ 0 0 95 -3,-2.0 -1,-0.3 5,-0.1 -2,-0.2 0.268 79.8 125.1-111.6 8.3 77.1 -8.0 115.6 230 233 A M S X S- 0 0 39 -3,-1.8 3,-1.6 -4,-0.2 -57,-0.1 -0.393 75.1-109.0 -66.2 148.3 76.6 -11.8 115.4 231 234 A P T 3 S+ 0 0 74 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.838 114.7 31.8 -45.3 -46.9 79.4 -13.5 113.4 232 235 A D T 3 S+ 0 0 80 -60,-2.7 -59,-0.2 2,-0.1 2,-0.1 0.303 87.9 122.7-101.1 9.8 77.1 -14.5 110.5 233 236 A Y < - 0 0 27 -3,-1.6 -5,-0.0 -61,-0.4 3,-0.0 -0.472 42.6-163.4 -71.5 143.1 74.7 -11.5 110.5 234 237 A K > - 0 0 105 -2,-0.1 3,-2.6 1,-0.1 -2,-0.1 -0.993 24.6-142.4-129.8 127.1 74.6 -9.6 107.3 235 238 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.783 102.6 69.3 -57.5 -18.7 73.1 -6.1 107.0 236 239 A S T 3 + 0 0 100 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.501 67.3 121.9 -78.0 -3.6 71.8 -7.4 103.6 237 240 A F S < S- 0 0 12 -3,-2.6 -19,-0.0 1,-0.1 -4,-0.0 -0.347 74.3-107.6 -57.0 135.6 69.3 -9.8 105.2 238 241 A P - 0 0 57 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.374 28.3-123.1 -65.7 151.4 65.9 -8.9 103.9 239 242 A K - 0 0 162 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.829 33.4-177.4-100.9 101.7 63.6 -7.2 106.5 240 243 A W - 0 0 74 -2,-0.9 -22,-2.5 -21,-0.0 2,-0.2 -0.777 24.9-122.9 -98.2 141.5 60.5 -9.2 106.9 241 244 A A - 0 0 77 -2,-0.4 -24,-0.4 -24,-0.2 2,-0.1 -0.547 35.5-101.2 -79.8 148.4 57.7 -8.1 109.2 242 245 A R - 0 0 120 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.417 34.8-132.6 -69.5 144.1 56.6 -10.5 112.0 243 246 A Q - 0 0 74 -28,-2.6 2,-0.3 -2,-0.1 -1,-0.1 -0.477 29.3 -91.2 -91.2 167.1 53.4 -12.5 111.4 244 247 A D >> - 0 0 104 -2,-0.2 3,-1.8 1,-0.1 4,-0.8 -0.611 26.4-136.1 -78.9 133.9 50.6 -12.9 113.9 245 248 A F H >> S+ 0 0 22 -2,-0.3 4,-1.8 1,-0.3 3,-0.7 0.828 103.8 67.9 -60.0 -30.1 50.9 -16.0 116.2 246 249 A S H 34 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.782 103.7 45.9 -60.5 -22.2 47.3 -16.8 115.7 247 250 A K H <4 S+ 0 0 141 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.668 107.6 61.6 -91.6 -17.6 48.3 -17.5 112.1 248 251 A V H << S+ 0 0 20 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.1 0.971 120.2 10.2 -75.3 -55.5 51.4 -19.5 113.2 249 252 A V S >< S- 0 0 0 -4,-1.8 3,-2.6 3,-0.1 -1,-0.2 -0.240 89.6-153.9-124.2 51.1 49.8 -22.4 115.2 250 253 A P T 3 S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.350 71.1 18.8 -64.0 145.7 46.1 -22.4 114.6 251 254 A P T 3 S+ 0 0 123 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.727 86.6 124.9-105.1 41.8 43.9 -23.5 116.4 252 255 A L < - 0 0 10 -3,-2.6 -3,-0.1 1,-0.1 -61,-0.0 -0.275 62.7-114.2 -58.1 139.5 46.0 -23.5 119.6 253 256 A D > - 0 0 61 1,-0.1 4,-2.7 -3,-0.1 3,-0.2 -0.202 30.7 -96.8 -70.4 168.0 44.4 -21.6 122.4 254 257 A E H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.763 122.3 57.0 -59.0 -30.7 45.9 -18.4 123.9 255 258 A D H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.946 113.2 41.5 -64.2 -47.6 47.6 -20.2 126.8 256 259 A G H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.918 114.6 49.7 -64.8 -44.4 49.4 -22.4 124.3 257 260 A R H X S+ 0 0 70 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.889 110.6 52.6 -62.5 -39.5 50.2 -19.6 121.9 258 261 A S H X S+ 0 0 37 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.941 110.6 45.8 -61.3 -49.1 51.6 -17.5 124.8 259 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 3,-0.2 0.936 112.1 50.9 -61.6 -46.9 53.9 -20.3 126.0 260 263 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.911 106.7 55.3 -57.8 -41.9 55.2 -21.0 122.4 261 264 A S H < S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.886 108.8 47.1 -59.4 -39.6 55.9 -17.2 121.9 262 265 A Q H < S+ 0 0 67 -4,-1.7 10,-2.5 -3,-0.2 3,-0.5 0.743 111.0 52.2 -73.1 -24.3 58.1 -17.2 125.0 263 266 A M H < S+ 0 0 0 -4,-1.4 -76,-0.2 -3,-0.3 -1,-0.2 0.705 112.0 47.7 -81.1 -21.7 59.8 -20.4 123.8 264 267 A L S < S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.161 75.4 139.1-107.0 19.2 60.5 -18.7 120.5 265 268 A H - 0 0 67 -3,-0.5 6,-0.2 1,-0.1 -3,-0.1 -0.391 52.6-137.1 -60.5 139.4 61.9 -15.3 121.7 266 269 A Y S S+ 0 0 13 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.936 87.2 77.1 -64.6 -48.3 64.8 -14.3 119.5 267 270 A D S >> S- 0 0 13 -44,-0.4 4,-2.0 1,-0.2 3,-1.6 -0.530 73.1-151.8 -69.5 115.7 67.0 -13.2 122.4 268 271 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.837 98.5 56.9 -55.8 -32.9 68.3 -16.4 124.0 269 272 A N T 34 S+ 0 0 147 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.715 110.2 41.7 -71.9 -22.8 68.5 -14.3 127.2 270 273 A K T <4 S+ 0 0 99 -3,-1.6 -1,-0.2 2,-0.1 3,-0.1 0.696 88.8 109.9 -95.5 -23.1 64.7 -13.5 127.0 271 274 A R S < S- 0 0 14 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.247 81.2-102.3 -54.9 135.4 63.7 -17.0 125.9 272 275 A I - 0 0 19 -10,-2.5 2,-0.2 -13,-0.2 -1,-0.1 -0.268 34.0-125.3 -61.4 143.6 61.8 -18.8 128.7 273 276 A S > - 0 0 60 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.515 22.9-111.1 -86.4 162.6 63.7 -21.4 130.8 274 277 A A H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -161,-0.1 0.912 118.9 53.6 -59.7 -40.2 62.4 -25.0 131.1 275 278 A K H > S+ 0 0 170 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.927 111.3 42.2 -60.0 -50.4 61.8 -24.3 134.8 276 279 A A H >4 S+ 0 0 50 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.874 109.5 59.7 -66.7 -35.8 59.7 -21.2 134.2 277 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.858 96.5 60.8 -62.0 -32.8 57.8 -22.9 131.3 278 281 A L H 3< S+ 0 0 45 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.765 103.2 52.5 -66.7 -22.4 56.6 -25.6 133.7 279 282 A A T << S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.351 81.5 122.6 -93.6 4.3 54.8 -23.0 135.7 280 283 A H S X S- 0 0 17 -3,-1.7 3,-2.1 -4,-0.2 4,-0.1 -0.421 74.8-118.3 -68.0 143.1 53.0 -21.5 132.7 281 284 A P G > S+ 0 0 65 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.736 107.4 78.2 -51.6 -27.3 49.1 -21.4 132.9 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.813 93.6 49.1 -54.3 -31.9 49.0 -23.7 129.9 283 286 A F G X S+ 0 0 11 -3,-2.1 3,-1.7 -6,-0.2 -1,-0.3 0.329 78.1 104.9 -92.2 7.9 49.9 -26.6 132.2 284 287 A Q T < S+ 0 0 175 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.858 91.4 32.7 -57.5 -37.2 47.3 -25.8 134.8 285 288 A D T 3 S+ 0 0 107 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.076 88.0 149.6-107.5 25.6 45.0 -28.7 133.6 286 289 A V < + 0 0 42 -3,-1.7 2,-0.2 -184,-0.1 -186,-0.1 -0.259 15.9 169.0 -63.4 144.0 47.8 -31.1 132.6 287 290 A T - 0 0 84 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.756 37.6-111.2-138.4-176.5 47.2 -34.8 132.8 288 291 A K - 0 0 131 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.721 36.0-179.7-128.7 82.9 48.8 -38.0 131.6 289 292 A P - 0 0 40 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.331 28.5-118.4 -74.1 163.8 46.8 -39.7 128.9 290 293 A V - 0 0 110 -2,-0.0 2,-0.2 -154,-0.0 -155,-0.1 -0.852 24.6-130.6-103.6 136.7 48.0 -43.0 127.4 291 294 A P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -155,-0.1 -0.529 16.4-120.5 -84.1 160.0 48.7 -43.1 123.7 292 295 A H - 0 0 171 -2,-0.2 2,-0.4 2,-0.0 -158,-0.0 -0.868 40.4-174.7 -97.1 103.9 47.3 -45.8 121.5 293 296 A L - 0 0 24 -2,-0.9 2,-0.7 -159,-0.1 -159,-0.0 -0.871 21.8-155.1-106.9 138.4 50.5 -47.4 120.1 294 297 A R 0 0 207 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.927 360.0 360.0-110.0 100.7 50.6 -50.1 117.5 295 298 A L 0 0 126 -2,-0.7 -1,-0.2 -213,-0.0 0, 0.0 0.742 360.0 360.0 -91.1 360.0 53.9 -51.8 118.0