==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAY-02 1GZ8 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.G.DAVIES,J.A.ENDICOTT,L.N.JOHNSON,M.E.NOBLE,J.A.TUCKER . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.5 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 13.7 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 . 2 0.7 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.5 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 2 2 0 1 0 0 2 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 . 1 1 1 0 1 2 1 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 44 0, 0.0 3,-2.2 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -22.7 -13.0 30.8 -3.4 2 2 A E T 3 + 0 0 149 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.657 360.0 68.6 -58.4 -17.3 -12.9 31.1 -7.2 3 3 A N T 3 S+ 0 0 89 20,-0.1 21,-3.0 21,-0.1 22,-0.4 0.504 94.8 67.5 -78.4 -3.1 -10.6 34.0 -6.7 4 4 A F E < -A 23 0A 28 -3,-2.2 2,-0.6 19,-0.3 19,-0.2 -0.928 64.7-152.9-126.4 137.0 -7.8 31.8 -5.4 5 5 A Q E -A 22 0A 92 17,-2.6 17,-2.4 -2,-0.4 2,-0.3 -0.947 25.5-128.7-103.3 119.7 -5.7 29.1 -7.0 6 6 A K E -A 21 0A 114 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.523 25.9-179.8 -70.4 132.1 -4.4 26.5 -4.7 7 7 A V E - 0 0 61 13,-3.3 2,-0.3 1,-0.3 14,-0.2 0.824 63.2 -25.1 -94.5 -49.3 -0.7 26.0 -5.0 8 8 A E E -A 20 0A 113 12,-1.5 12,-3.1 3,-0.0 2,-0.4 -0.971 62.6 -99.5-166.3 144.9 -0.1 23.3 -2.4 9 9 A K E -A 19 0A 104 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.608 29.7-169.6 -65.6 125.1 -1.6 21.8 0.7 10 10 A I E - 0 0 72 8,-2.6 2,-0.3 -2,-0.4 9,-0.2 0.818 52.0 -83.3 -81.6 -41.0 0.4 23.2 3.6 11 11 A G E -A 18 0A 25 7,-1.6 7,-2.8 -3,-0.1 2,-0.6 -0.986 50.8 -55.2 164.0-168.6 -1.0 20.9 6.1 12 12 A E E -A 17 0A 79 -2,-0.3 5,-0.2 5,-0.2 140,-0.0 -0.933 52.1-162.5-107.9 114.5 -3.9 20.1 8.4 13 13 A G - 0 0 18 3,-2.4 140,-0.4 -2,-0.6 141,-0.3 -0.191 38.2 -87.9 -84.2-176.5 -4.6 22.9 10.9 14 14 A T S S+ 0 0 15 1,-0.2 139,-1.0 138,-0.1 140,-0.1 0.900 125.7 23.5 -55.1 -43.4 -6.6 22.9 14.1 15 15 A Y S S- 0 0 28 1,-0.3 21,-3.1 137,-0.2 2,-0.3 0.482 129.3 -37.4-108.4 -7.6 -9.9 23.7 12.3 16 16 A G S S- 0 0 5 19,-0.2 -3,-2.4 20,-0.0 -1,-0.3 -0.968 82.5 -37.0 164.5 178.2 -9.4 22.5 8.8 17 17 A V E -A 12 0A 22 -2,-0.3 17,-2.4 -5,-0.2 2,-0.4 -0.280 48.6-146.9 -66.9 151.1 -7.1 22.1 5.9 18 18 A V E -AB 11 33A 11 -7,-2.8 -8,-2.6 15,-0.2 -7,-1.6 -0.983 16.3-172.0-122.8 129.2 -4.6 24.8 5.1 19 19 A Y E -AB 9 32A 62 13,-2.6 13,-3.1 -2,-0.4 2,-0.5 -0.930 27.0-131.3-120.7 143.4 -3.5 25.7 1.6 20 20 A K E +AB 8 31A 38 -12,-3.1 -13,-3.3 -2,-0.4 -12,-1.5 -0.828 46.5 172.8 -78.2 133.5 -0.9 27.9 0.0 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.8 -2,-0.5 2,-0.4 -0.944 31.2-133.5-143.9 160.1 -2.8 29.8 -2.6 22 22 A R E -AB 5 29A 99 -17,-2.4 -17,-2.6 -2,-0.3 2,-0.4 -0.978 23.3-125.7-117.8 129.4 -2.5 32.6 -5.1 23 23 A N E > -A 4 0A 25 5,-3.1 4,-1.8 -2,-0.4 -19,-0.3 -0.610 19.7-143.8 -66.1 125.7 -5.1 35.4 -5.6 24 24 A K T 4 S+ 0 0 132 -21,-3.0 -1,-0.1 -2,-0.4 -20,-0.1 0.721 91.9 34.7 -69.2 -23.0 -6.1 35.4 -9.3 25 25 A L T 4 S+ 0 0 155 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.877 128.6 28.5-100.6 -42.4 -6.4 39.2 -9.7 26 26 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.555 94.0-131.1 -95.5 -16.4 -3.8 40.7 -7.4 27 27 A G < + 0 0 33 -4,-1.8 -3,-0.1 1,-0.2 2,-0.0 0.416 49.5 156.1 83.0 1.7 -1.3 37.9 -7.6 28 28 A E - 0 0 90 -6,-0.1 -5,-3.1 1,-0.1 2,-0.5 -0.324 39.1-137.5 -64.7 137.1 -0.9 37.8 -3.8 29 29 A V E +B 22 0A 48 -7,-0.2 47,-0.6 47,-0.1 2,-0.3 -0.866 37.7 165.4 -95.2 129.4 0.4 34.4 -2.3 30 30 A V E -BC 21 75A 0 -9,-2.8 -9,-2.6 -2,-0.5 2,-0.5 -0.850 41.3-111.2-139.2 166.1 -1.6 33.7 0.9 31 31 A A E -BC 20 74A 11 43,-2.7 43,-3.1 -2,-0.3 2,-0.5 -0.954 30.2-157.2-100.7 128.9 -2.4 30.9 3.4 32 32 A L E -BC 19 73A 3 -13,-3.1 -13,-2.6 -2,-0.5 2,-0.6 -0.921 6.7-167.1-109.6 122.8 -6.0 29.8 3.2 33 33 A K E -BC 18 72A 35 39,-2.8 39,-2.6 -2,-0.5 2,-0.3 -0.933 9.2-149.9-116.6 112.8 -7.4 28.2 6.3 34 34 A K E - C 0 71A 60 -17,-2.4 2,-0.7 -2,-0.6 37,-0.2 -0.570 8.0-151.1 -79.1 136.9 -10.7 26.4 6.1 35 35 A I E C 0 70A 14 35,-2.7 35,-0.8 -2,-0.3 -19,-0.2 -0.930 360.0 360.0-111.6 106.3 -12.7 26.4 9.3 36 36 A R 0 0 98 -21,-3.1 33,-0.1 -2,-0.7 117,-0.0 -0.557 360.0 360.0 -72.6 360.0 -14.8 23.3 9.6 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 44 A V 0 0 68 0, 0.0 5,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 103.5 -21.1 29.4 11.1 39 45 A P > - 0 0 85 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.153 360.0-125.7 -54.1 142.9 -22.6 31.1 14.2 40 46 A S H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 110.0 59.7 -56.8 -41.2 -23.1 34.8 14.0 41 47 A T H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 105.0 49.0 -57.1 -39.6 -21.0 35.2 17.2 42 48 A A H > S+ 0 0 4 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.939 109.4 51.7 -68.2 -42.3 -18.0 33.6 15.5 43 49 A I H X S+ 0 0 41 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.921 111.0 48.4 -57.7 -42.5 -18.3 35.8 12.4 44 50 A R H X S+ 0 0 158 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.944 111.8 48.9 -67.6 -39.6 -18.4 38.9 14.6 45 51 A E H X S+ 0 0 38 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.925 113.2 46.5 -63.3 -47.9 -15.3 37.7 16.6 46 52 A I H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 3,-0.3 0.906 107.2 58.2 -60.5 -42.2 -13.3 37.0 13.5 47 53 A S H >< S+ 0 0 43 -4,-2.4 3,-0.9 -5,-0.3 4,-0.3 0.896 102.0 54.7 -54.0 -41.6 -14.3 40.2 12.0 48 54 A L H >< S+ 0 0 112 -4,-1.9 3,-1.5 1,-0.2 4,-0.4 0.840 99.1 62.6 -59.8 -35.3 -12.8 42.0 15.0 49 55 A L H >< S+ 0 0 13 -4,-1.3 3,-1.1 -3,-0.3 11,-0.3 0.804 86.0 75.1 -65.0 -22.2 -9.5 40.3 14.4 50 56 A K T << S+ 0 0 82 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.753 100.2 42.7 -60.7 -24.3 -9.2 42.0 11.0 51 57 A E T < S+ 0 0 162 -3,-1.5 2,-1.8 -4,-0.3 -1,-0.3 0.528 86.3 96.0-100.8 -5.3 -8.3 45.2 12.7 52 58 A L < + 0 0 17 -3,-1.1 2,-0.4 -4,-0.4 8,-0.1 -0.549 59.3 166.1 -86.7 72.5 -5.9 43.7 15.3 53 59 A N + 0 0 73 -2,-1.8 5,-0.1 6,-0.1 6,-0.1 -0.794 9.0 146.9-104.0 131.3 -2.8 44.4 13.2 54 60 A H > - 0 0 42 -2,-0.4 3,-2.2 3,-0.4 54,-0.0 -0.967 54.3-113.4-155.2 150.6 0.8 44.3 14.4 55 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.701 117.6 49.5 -64.4 -19.4 4.1 43.4 12.7 56 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.6 48,-0.1 2,-0.5 0.227 97.7 80.1-104.5 16.3 4.4 40.3 15.0 57 63 A I B < S-e 137 0B 10 -3,-2.2 -3,-0.4 79,-0.3 81,-0.2 -0.984 91.1-114.0-120.2 122.9 0.9 39.1 14.3 58 64 A V - 0 0 7 79,-2.5 2,-0.2 -2,-0.5 82,-0.2 -0.395 44.4-109.0 -56.0 128.4 0.3 37.2 11.1 59 65 A K - 0 0 94 -4,-0.1 16,-2.6 -2,-0.1 2,-0.9 -0.417 17.9-143.1 -75.6 126.5 -2.0 39.4 9.1 60 66 A L E -D 74 0A 10 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.808 22.2-178.4 -80.2 107.7 -5.6 38.3 8.7 61 67 A L E - 0 0 32 12,-2.6 2,-0.3 -2,-0.9 13,-0.2 0.905 54.2 -24.6 -78.5 -47.7 -6.3 39.5 5.1 62 68 A D E -D 73 0A 93 11,-1.5 11,-3.1 2,-0.0 2,-0.4 -0.987 47.0-128.3-160.4 165.7 -9.9 38.6 4.7 63 69 A V E -D 72 0A 30 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.991 20.8-164.0-120.3 126.0 -12.7 36.3 5.8 64 70 A I E -D 71 0A 35 7,-3.0 7,-2.7 -2,-0.4 2,-0.6 -0.956 6.6-177.5-115.4 118.8 -14.7 34.4 3.1 65 71 A H E +D 70 0A 89 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.938 16.8 157.0-117.5 111.9 -18.0 32.9 4.1 66 72 A T E > -D 69 0A 44 3,-2.7 3,-1.2 -2,-0.6 -2,-0.0 -0.975 62.2 -12.4-141.7 125.2 -19.6 31.0 1.2 67 73 A E T 3 S- 0 0 157 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.880 126.5 -51.1 53.7 49.0 -22.3 28.2 1.3 68 74 A N T 3 S+ 0 0 148 1,-0.2 2,-0.4 -30,-0.1 -1,-0.3 0.616 117.9 115.6 67.0 13.1 -22.0 27.6 5.0 69 75 A K E < - D 0 66A 97 -3,-1.2 -3,-2.7 -33,-0.1 2,-0.5 -0.933 51.5-155.4-116.3 140.2 -18.2 27.3 4.6 70 76 A L E -CD 35 65A 1 -35,-0.8 -35,-2.7 -2,-0.4 2,-0.4 -0.946 10.5-177.8-122.2 130.9 -15.7 29.7 6.2 71 77 A Y E -CD 34 64A 28 -7,-2.7 -7,-3.0 -2,-0.5 2,-0.5 -0.986 13.2-152.4-127.1 133.2 -12.2 30.4 4.9 72 78 A L E -CD 33 63A 0 -39,-2.6 -39,-2.8 -2,-0.4 2,-0.6 -0.935 9.7-150.0-104.5 132.1 -9.7 32.7 6.5 73 79 A V E +CD 32 62A 4 -11,-3.1 -12,-2.6 -2,-0.5 -11,-1.5 -0.912 24.4 178.6-104.9 119.4 -7.1 34.3 4.3 74 80 A F E -CD 31 60A 13 -43,-3.1 -43,-2.7 -2,-0.6 -14,-0.2 -0.833 37.3 -91.1-119.8 154.6 -3.8 35.0 6.0 75 81 A E E -C 30 0A 50 -16,-2.6 2,-0.4 -2,-0.3 -45,-0.2 -0.384 49.3-126.2 -51.7 139.3 -0.4 36.4 5.2 76 82 A F - 0 0 39 -47,-0.6 2,-0.3 -2,-0.0 -47,-0.1 -0.774 26.3-174.2 -96.7 130.8 1.9 33.6 4.1 77 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.0 52,-0.0 -0.948 24.7-131.9-121.6 155.9 5.2 32.9 5.8 78 84 A H S S+ 0 0 107 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.597 78.0 21.5 -85.1 -17.6 7.7 30.3 4.6 79 85 A Q E -F 129 0B 39 50,-1.1 50,-2.7 211,-0.0 2,-0.3 -0.984 60.3-139.9-148.5 154.1 8.6 28.4 7.8 80 86 A D E > -F 128 0B 11 -2,-0.3 4,-2.3 48,-0.3 48,-0.2 -0.783 29.8-115.0-110.4 162.3 7.4 27.7 11.3 81 87 A L H > S+ 0 0 0 46,-2.7 4,-3.0 43,-1.1 44,-0.2 0.815 112.6 60.1 -67.3 -31.5 9.3 27.5 14.5 82 88 A K H > S+ 0 0 44 42,-0.8 4,-2.3 45,-0.2 -1,-0.2 0.958 110.4 41.3 -60.3 -50.6 8.7 23.8 15.0 83 89 A K H > S+ 0 0 104 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.907 114.8 52.0 -62.6 -39.3 10.4 23.0 11.7 84 90 A F H X S+ 0 0 9 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.901 109.6 49.3 -65.7 -43.6 13.2 25.5 12.4 85 91 A M H < S+ 0 0 16 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.899 111.0 49.0 -60.7 -42.6 13.8 24.0 15.8 86 92 A D H >< S+ 0 0 102 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.924 113.7 47.6 -64.0 -44.0 14.0 20.5 14.3 87 93 A A H 3< S+ 0 0 82 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.762 113.5 47.7 -62.7 -28.8 16.4 21.8 11.6 88 94 A S T 3X S+ 0 0 17 -4,-1.7 4,-2.6 -5,-0.2 3,-0.3 0.189 81.0 109.8 -95.6 15.5 18.5 23.6 14.2 89 95 A A T <4 + 0 0 44 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.798 69.3 56.2 -69.0 -28.7 18.6 20.6 16.5 90 96 A L T 4 S+ 0 0 170 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.900 128.6 12.4 -73.3 -36.3 22.3 19.7 16.0 91 97 A T T 4 S- 0 0 109 -3,-0.3 -2,-0.2 1,-0.0 -1,-0.2 0.622 104.9-125.3-113.4 -18.9 23.7 23.0 17.1 92 98 A G < - 0 0 8 -4,-2.6 -3,-0.1 -7,-0.1 99,-0.1 0.112 37.0 -66.6 82.4 154.5 20.7 24.7 18.6 93 99 A I - 0 0 14 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.621 65.9-104.3 -70.1 130.7 19.2 28.1 17.7 94 100 A P >> - 0 0 78 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.299 26.1-118.7 -58.8 140.7 21.9 30.7 18.7 95 101 A L H 3> S+ 0 0 66 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.867 112.1 56.8 -52.5 -42.2 21.0 32.6 21.9 96 102 A P H 3> S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 188,-0.4 0.873 110.1 46.1 -60.4 -32.8 20.8 36.0 20.2 97 103 A L H <> S+ 0 0 6 -3,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.890 111.3 51.0 -73.9 -41.9 18.2 34.6 17.8 98 104 A I H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.939 112.4 48.1 -55.7 -47.1 16.3 33.0 20.6 99 105 A K H X S+ 0 0 13 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.917 110.8 49.7 -61.9 -44.9 16.3 36.3 22.4 100 106 A S H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.920 112.3 47.9 -57.3 -47.7 15.2 38.2 19.3 101 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.935 112.2 48.6 -61.6 -45.2 12.4 35.8 18.7 102 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.926 111.4 50.5 -61.0 -42.5 11.3 36.0 22.3 103 109 A F H X S+ 0 0 54 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.927 112.6 46.2 -61.9 -44.3 11.4 39.7 22.3 104 110 A Q H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.889 111.5 50.8 -65.1 -43.6 9.3 39.9 19.1 105 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.895 108.1 53.1 -62.8 -41.2 6.8 37.4 20.4 106 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.850 106.3 53.7 -60.8 -35.2 6.4 39.4 23.5 107 113 A Q H X S+ 0 0 60 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.908 108.8 48.8 -66.7 -40.4 5.7 42.5 21.5 108 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.919 113.4 46.7 -62.7 -44.9 3.0 40.7 19.6 109 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.920 109.1 54.1 -61.0 -42.6 1.5 39.5 22.9 110 116 A A H X S+ 0 0 7 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.917 110.4 48.3 -61.0 -41.6 1.7 42.9 24.5 111 117 A F H X S+ 0 0 46 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.960 116.2 39.9 -61.1 -53.9 -0.2 44.4 21.6 112 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-1.1 0.927 114.2 53.7 -67.2 -38.5 -3.0 41.8 21.5 113 119 A H H ><5S+ 0 0 13 -4,-3.3 3,-1.8 1,-0.3 -1,-0.2 0.832 99.3 61.9 -64.7 -30.2 -3.3 41.7 25.3 114 120 A S H 3<5S+ 0 0 61 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.736 107.6 46.2 -64.2 -25.7 -3.7 45.5 25.4 115 121 A H T <<5S- 0 0 105 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.191 120.2-113.3 -93.7 8.1 -6.9 44.8 23.4 116 122 A R T < 5S+ 0 0 154 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.755 73.4 134.5 62.8 33.1 -7.9 42.0 25.7 117 123 A V < - 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