==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER KINASE/KINASE ACTIVATOR 11-MAY-01 1H4L . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TARRICONE,R.DHAVAN,J.PENG,L.B.ARECES,L.-H.TSAI,A.MUSACCHIO . 850 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 2 0.2 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 . 58 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 314 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 2 0 0 2 0 4 3 3 4 0 0 0 2 2 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 6 4 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 2 A Q 0 0 196 0, 0.0 2,-1.1 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 -28.8 20.6 -11.9 38.1 2 3 A K + 0 0 109 2,-0.1 19,-0.6 18,-0.0 2,-0.3 0.102 360.0 92.0 -66.5 29.1 22.3 -11.9 41.5 3 4 A Y - 0 0 49 -2,-1.1 2,-0.5 17,-0.1 16,-0.2 -0.870 67.3-144.1-127.4 159.5 25.4 -10.7 39.5 4 5 A E E -A 18 0A 91 14,-1.4 14,-1.1 -2,-0.3 16,-0.1 -0.924 22.4-141.7-124.7 102.6 26.9 -7.4 38.5 5 6 A K E +A 17 0A 101 -2,-0.5 12,-0.2 12,-0.2 2,-0.1 -0.305 29.3 166.4 -61.8 146.3 28.5 -7.5 35.0 6 7 A L - 0 0 60 10,-1.5 -1,-0.1 1,-0.4 11,-0.0 -0.362 49.7 -2.6-134.5-147.4 31.8 -5.5 34.6 7 8 A E S S- 0 0 117 -2,-0.1 9,-1.4 1,-0.1 2,-0.8 -0.246 76.1-124.9 -49.2 132.2 34.6 -5.3 32.1 8 9 A K 0 0 148 7,-0.2 7,-0.2 1,-0.1 -1,-0.1 -0.759 360.0 360.0 -92.0 110.3 33.8 -7.8 29.3 9 10 A I 0 0 110 -2,-0.8 6,-0.2 5,-0.3 -1,-0.1 0.294 360.0 360.0 -77.8 360.0 36.5 -10.3 28.7 10 ! 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 11 15 A Y 0 0 85 0, 0.0 20,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-121.8 30.7 -20.2 23.1 12 16 A G - 0 0 30 1,-0.2 2,-0.3 18,-0.1 19,-0.2 0.424 360.0 -58.4 -60.7-151.4 29.1 -16.9 23.8 13 17 A T - 0 0 57 17,-0.4 2,-0.3 1,-0.0 -1,-0.2 -0.732 48.3-126.0-101.0 149.5 31.1 -14.0 25.4 14 18 A V - 0 0 53 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.3 -0.724 24.9-172.3 -96.4 141.5 32.9 -14.0 28.8 15 19 A F E - B 0 28A 28 13,-2.3 13,-2.7 -2,-0.3 2,-0.3 -0.947 19.4-136.6-132.0 152.8 32.3 -11.5 31.5 16 20 A K E + B 0 27A 47 -9,-1.4 -10,-1.5 -2,-0.3 2,-0.3 -0.671 38.8 162.2 -97.8 157.2 33.9 -10.7 34.9 17 21 A A E -AB 5 26A 0 9,-1.4 9,-1.7 -2,-0.3 2,-0.4 -0.997 38.6-119.0-170.3 168.5 31.5 -10.0 37.8 18 22 A K E -AB 4 25A 97 -14,-1.1 -14,-1.4 -2,-0.3 7,-0.3 -0.949 26.9-130.1-117.3 137.1 30.7 -9.6 41.5 19 23 A N - 0 0 19 5,-3.0 2,-3.2 -2,-0.4 6,-0.1 0.706 31.4-157.5 -59.9 -13.5 28.1 -11.8 43.2 20 24 A R S S+ 0 0 189 1,-0.2 -1,-0.2 4,-0.2 -17,-0.1 -0.022 85.8 53.7 64.1 -39.6 26.8 -8.5 44.5 21 25 A E S S+ 0 0 138 -2,-3.2 -1,-0.2 -19,-0.6 -18,-0.1 0.890 127.0 17.2 -88.5 -47.5 25.2 -10.5 47.3 22 26 A T S S- 0 0 66 2,-0.1 3,-0.1 0, 0.0 -1,-0.1 0.320 99.9-131.5-105.2 3.6 28.3 -12.4 48.5 23 27 A H + 0 0 156 1,-0.2 2,-0.2 -5,-0.1 0, 0.0 0.417 56.4 143.1 60.6 3.5 30.6 -9.9 46.8 24 28 A E - 0 0 103 -6,-0.1 -5,-3.0 1,-0.1 2,-0.5 -0.477 49.3-126.4 -74.7 142.9 32.7 -12.7 45.2 25 29 A I E +B 18 0A 62 -7,-0.3 50,-0.6 -2,-0.2 -7,-0.3 -0.787 37.8 163.0 -94.2 128.7 34.1 -12.2 41.7 26 30 A V E -BC 17 74A 4 -9,-1.7 -9,-1.4 -2,-0.5 2,-0.3 -0.394 34.4-113.7-121.5-162.3 33.3 -14.8 39.1 27 31 A A E -BC 16 73A 13 46,-2.5 46,-3.6 -11,-0.2 2,-0.4 -0.988 22.7-151.6-142.0 132.8 33.3 -15.1 35.3 28 32 A L E -BC 15 72A 8 -13,-2.7 -13,-2.3 -2,-0.3 44,-0.2 -0.905 10.8-172.4-110.7 138.3 30.2 -15.6 33.2 29 33 A K - 0 0 9 42,-1.5 41,-0.1 -2,-0.4 -1,-0.1 0.853 15.3-164.1 -96.6 -39.8 30.1 -17.5 29.9 30 34 A R - 0 0 32 -18,-0.2 2,-0.4 1,-0.1 -17,-0.4 0.922 6.7-153.7 52.0 101.0 26.5 -16.9 28.6 31 35 A V E -D 69 0A 0 38,-3.7 38,-2.1 -19,-0.2 2,-0.3 -0.886 14.6-122.9-108.3 132.1 25.7 -19.3 25.7 32 36 A R E -D 68 0A 82 -2,-0.4 36,-0.2 36,-0.2 35,-0.1 -0.551 13.4-159.0 -72.8 132.0 23.1 -18.5 23.0 33 37 A L 0 0 7 34,-1.2 -1,-0.1 -2,-0.3 35,-0.1 0.077 360.0 360.0 -99.2 25.4 20.4 -21.1 22.9 34 38 A D 0 0 129 33,-0.1 -2,-0.1 4,-0.0 34,-0.1 -0.032 360.0 360.0-167.3 360.0 19.5 -20.2 19.3 35 ! 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 36 43 A G > 0 0 44 0, 0.0 4,-1.8 0, 0.0 623,-0.4 0.000 360.0 360.0 360.0 -26.1 25.7 -27.5 18.0 37 44 A V H > + 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.841 360.0 52.6 -42.7 -47.8 27.1 -24.9 20.5 38 45 A P H > S+ 0 0 20 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.952 107.2 50.1 -58.5 -50.2 24.4 -25.8 23.1 39 46 A S H > S+ 0 0 0 620,-0.4 4,-1.2 -3,-0.3 -2,-0.2 0.837 111.1 50.6 -58.5 -33.2 25.2 -29.5 23.1 40 47 A S H X S+ 0 0 18 -4,-1.8 4,-2.2 2,-0.2 3,-0.4 0.946 111.1 49.2 -68.7 -46.1 28.8 -28.7 23.5 41 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.902 107.9 52.7 -58.6 -45.0 28.0 -26.4 26.4 42 49 A L H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.814 108.5 52.2 -63.9 -27.2 25.8 -29.1 28.1 43 50 A R H X S+ 0 0 5 -4,-1.2 4,-2.8 -3,-0.4 5,-0.3 0.950 106.9 51.0 -72.6 -47.4 28.7 -31.5 27.9 44 51 A E H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.951 111.2 49.1 -52.2 -51.7 31.2 -29.1 29.5 45 52 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.938 111.0 49.9 -52.7 -52.7 28.7 -28.6 32.4 46 53 A C H < S+ 0 0 2 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.886 116.4 41.0 -53.3 -46.8 28.2 -32.4 32.8 47 54 A L H >< S+ 0 0 0 -4,-2.8 3,-1.9 2,-0.2 -2,-0.2 0.953 112.7 52.4 -69.8 -50.9 32.0 -33.1 32.9 48 55 A L H >< S+ 0 0 5 -4,-3.2 3,-2.9 1,-0.3 -2,-0.2 0.904 98.9 64.5 -52.6 -46.0 32.9 -30.1 35.0 49 56 A K T 3< S+ 0 0 63 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.751 110.8 39.3 -51.0 -24.1 30.4 -31.0 37.7 50 57 A E T < S+ 0 0 30 -3,-1.9 2,-0.4 -4,-0.4 -1,-0.3 0.179 102.4 76.4-110.9 13.7 32.5 -34.2 38.2 51 58 A L < + 0 0 2 -3,-2.9 2,-0.7 -4,-0.1 -1,-0.1 -0.691 53.2 160.6-125.6 79.3 36.0 -32.6 37.9 52 59 A K + 0 0 134 -2,-0.4 2,-0.3 -3,-0.1 5,-0.1 -0.886 17.6 129.5-107.0 113.5 36.8 -30.8 41.1 53 60 A H B > -F 56 0B 40 -2,-0.7 3,-3.3 3,-0.6 -2,-0.0 -0.956 66.0-114.4-160.0 137.0 40.5 -30.1 41.6 54 61 A K T 3 S+ 0 0 132 1,-0.3 4,-0.1 -2,-0.3 52,-0.1 0.728 118.8 52.5 -47.9 -22.3 42.6 -27.0 42.4 55 62 A N T 3 S+ 0 0 1 79,-0.1 80,-2.7 2,-0.1 2,-0.4 0.223 98.8 71.8-102.6 16.4 44.1 -27.3 38.9 56 63 A I B < S-Fg 53 135B 3 -3,-3.3 -3,-0.6 78,-0.3 80,-0.2 -0.990 94.4-106.2-131.0 120.8 40.8 -27.5 37.1 57 64 A V - 0 0 6 78,-3.1 2,-0.3 -2,-0.4 -6,-0.1 -0.057 39.4-121.0 -44.5 138.9 38.7 -24.3 36.8 58 65 A R - 0 0 130 -4,-0.1 16,-2.2 -6,-0.1 2,-0.7 -0.639 11.5-149.3 -91.8 148.3 35.6 -24.5 39.0 59 66 A L E -E 73 0A 24 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.895 15.0-178.8-112.9 97.4 32.0 -24.2 37.8 60 67 A H E - 0 0 74 12,-1.1 2,-0.2 -2,-0.7 13,-0.2 0.937 59.7 -26.2 -64.6 -49.0 30.0 -22.5 40.6 61 68 A D E -E 72 0A 79 11,-1.5 11,-1.4 2,-0.0 2,-0.3 -0.823 48.4-131.5-151.2-173.4 26.6 -22.6 39.0 62 69 A V E -E 71 0A 17 -2,-0.2 2,-0.4 9,-0.2 9,-0.2 -0.905 21.2-164.6-153.4 124.6 24.6 -22.7 35.8 63 70 A L E -E 70 0A 44 7,-2.6 7,-2.8 -2,-0.3 2,-0.6 -0.895 13.3-155.0-116.7 144.5 21.6 -20.4 35.0 64 71 A H E +E 69 0A 41 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.846 39.2 143.1-117.3 92.6 18.9 -20.6 32.4 65 72 A S E > +E 68 0A 46 3,-1.7 3,-0.9 -2,-0.6 -2,-0.1 -0.968 58.6 3.2-135.1 150.2 17.6 -17.0 31.7 66 73 A D T 3 S- 0 0 138 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.839 126.9 -59.5 48.6 38.4 16.4 -15.0 28.8 67 74 A K T 3 S+ 0 0 164 1,-0.2 -34,-1.2 -3,-0.1 2,-0.3 0.923 118.9 104.5 58.3 44.1 16.8 -18.0 26.5 68 75 A K E < -DE 32 65A 48 -3,-0.9 -3,-1.7 -36,-0.2 2,-0.6 -0.982 66.4-133.3-150.6 149.5 20.5 -18.2 27.3 69 76 A L E -DE 31 64A 2 -38,-2.1 -38,-3.7 -2,-0.3 2,-0.6 -0.950 19.3-163.2-109.2 122.4 22.6 -20.5 29.5 70 77 A T E - E 0 63A 5 -7,-2.8 -7,-2.6 -2,-0.6 2,-0.7 -0.929 5.2-156.0-109.8 114.7 25.1 -18.7 31.8 71 78 A L E - E 0 62A 0 -2,-0.6 -42,-1.5 -9,-0.2 2,-1.0 -0.795 11.8-146.8 -87.3 118.5 27.8 -20.8 33.3 72 79 A V E -CE 28 61A 0 -11,-1.4 -11,-1.5 -2,-0.7 -12,-1.1 -0.794 27.4-178.5 -90.1 105.2 29.0 -19.1 36.4 73 80 A F E -CE 27 59A 15 -46,-3.6 -46,-2.5 -2,-1.0 -14,-0.2 -0.625 32.0-101.1-100.9 162.6 32.7 -19.9 36.5 74 81 A E E -C 26 0A 33 -16,-2.2 2,-0.4 -48,-0.2 -48,-0.2 -0.334 47.8-109.2 -72.3 165.7 35.4 -19.0 39.1 75 82 A F - 0 0 34 -50,-0.6 2,-0.4 -49,-0.1 -48,-0.1 -0.860 29.2-169.9-109.8 135.2 37.6 -16.1 38.0 76 83 A C - 0 0 15 -2,-0.4 52,-0.1 1,-0.1 3,-0.1 -0.957 28.2-127.6-121.9 138.1 41.2 -16.2 36.9 77 84 A D S S- 0 0 83 -2,-0.4 2,-0.3 1,-0.2 51,-0.2 0.886 80.3 -24.1 -51.3 -45.8 43.4 -13.2 36.4 78 85 A Q E -H 127 0B 47 49,-1.7 49,-3.2 -3,-0.1 2,-0.2 -0.996 61.4-100.3-165.4 162.9 44.5 -14.2 32.9 79 86 A D E > -H 126 0B 51 -2,-0.3 4,-2.3 47,-0.2 3,-0.4 -0.553 41.1-111.3 -85.8 154.2 45.1 -17.0 30.4 80 87 A L H > S+ 0 0 0 45,-3.2 4,-2.6 42,-0.8 43,-0.2 0.786 116.1 61.2 -56.0 -30.0 48.6 -18.4 29.8 81 88 A K H > S+ 0 0 45 41,-0.7 4,-0.9 44,-0.3 -1,-0.2 0.957 108.3 41.7 -63.2 -48.8 48.6 -16.9 26.3 82 89 A K H >> S+ 0 0 102 -3,-0.4 4,-2.4 1,-0.2 3,-0.7 0.881 109.7 60.3 -65.4 -35.8 48.2 -13.4 27.7 83 90 A Y H 3X S+ 0 0 44 -4,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.952 99.2 56.4 -54.5 -50.2 50.7 -14.3 30.5 84 91 A F H 3< S+ 0 0 2 -4,-2.6 5,-0.3 1,-0.3 -1,-0.3 0.794 111.1 44.3 -52.5 -30.3 53.3 -14.9 27.7 85 92 A D H << S+ 0 0 12 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.821 104.1 64.7 -82.9 -34.0 52.7 -11.4 26.6 86 93 A S H < S+ 0 0 24 -4,-2.4 -2,-0.2 -3,-0.2 -3,-0.1 0.981 119.5 18.9 -49.9 -73.3 52.7 -10.0 30.1 87 94 A C S < S- 0 0 40 -4,-1.6 2,-0.3 -5,-0.0 4,-0.1 -0.130 99.6-131.5 -79.4-168.8 56.4 -10.9 30.6 88 95 A N - 0 0 84 2,-0.4 2,-0.3 386,-0.1 -3,-0.1 -0.997 56.4 -16.3-154.4 147.3 58.2 -11.5 27.4 89 96 A G S S+ 0 0 31 102,-0.5 2,-0.3 -2,-0.3 103,-0.2 0.427 117.7 54.3 43.7 0.6 60.5 -13.9 25.6 90 97 A D - 0 0 71 -2,-0.3 -2,-0.4 101,-0.2 2,-0.4 -0.926 50.2-172.3-168.7 143.4 61.3 -15.5 29.0 91 98 A L - 0 0 4 -2,-0.3 5,-0.1 97,-0.2 101,-0.1 -0.994 46.7 -97.1-132.6 135.3 60.2 -17.2 32.2 92 99 A D >> - 0 0 100 -2,-0.4 3,-1.9 1,-0.2 4,-1.7 -0.273 39.2-119.9 -48.9 128.5 62.3 -18.1 35.2 93 100 A P H 3> S+ 0 0 63 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.713 115.0 61.5 -47.2 -21.0 63.1 -21.8 34.6 94 101 A E H 3> S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.848 100.0 49.5 -76.2 -38.1 61.3 -22.3 37.9 95 102 A I H <> S+ 0 0 52 -3,-1.9 4,-3.1 2,-0.2 5,-0.3 0.928 106.8 57.9 -65.6 -42.0 58.0 -20.9 36.7 96 103 A V H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.908 108.8 45.5 -51.9 -46.1 58.3 -23.2 33.7 97 104 A K H X S+ 0 0 51 -4,-1.3 4,-3.2 -5,-0.2 -1,-0.2 0.960 112.2 49.9 -64.5 -52.2 58.5 -26.1 36.2 98 105 A S H X S+ 0 0 50 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.937 112.0 47.6 -53.2 -52.2 55.6 -24.9 38.3 99 106 A F H X S+ 0 0 5 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.922 114.2 45.9 -57.0 -47.8 53.3 -24.4 35.3 100 107 A L H X S+ 0 0 0 -4,-2.1 4,-3.6 -5,-0.3 5,-0.2 0.907 111.7 54.0 -62.8 -41.5 54.1 -27.8 33.8 101 108 A F H X S+ 0 0 82 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.975 112.6 41.0 -55.8 -59.4 53.7 -29.4 37.2 102 109 A Q H X S+ 0 0 23 -4,-2.8 4,-3.8 2,-0.2 5,-0.3 0.875 116.6 49.7 -59.3 -40.1 50.2 -28.0 37.8 103 110 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.3 5,-0.3 0.987 112.8 47.0 -61.4 -56.1 49.1 -28.6 34.2 104 111 A L H X S+ 0 0 0 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.796 116.2 46.8 -55.2 -29.9 50.4 -32.2 34.4 105 112 A K H X S+ 0 0 78 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.957 113.4 44.6 -79.0 -51.1 48.6 -32.6 37.7 106 113 A G H X S+ 0 0 0 -4,-3.8 4,-1.3 1,-0.2 -2,-0.2 0.832 119.2 45.8 -60.2 -29.1 45.3 -31.1 36.7 107 114 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.882 107.0 55.9 -80.4 -40.1 45.6 -33.1 33.5 108 115 A G H X S+ 0 0 19 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.873 106.3 54.8 -59.0 -33.4 46.6 -36.3 35.3 109 116 A F H X S+ 0 0 51 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.935 104.5 50.8 -65.6 -46.5 43.4 -35.9 37.3 110 117 A C H <>S+ 0 0 0 -4,-1.3 5,-2.4 1,-0.2 -2,-0.2 0.920 109.9 50.6 -57.8 -45.7 41.1 -35.7 34.3 111 118 A H H ><5S+ 0 0 23 -4,-2.1 3,-2.3 3,-0.2 -1,-0.2 0.950 108.8 51.6 -60.2 -45.0 42.6 -38.8 32.9 112 119 A S H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.857 110.0 49.0 -61.6 -31.8 42.1 -40.6 36.2 113 120 A R T 3<5S- 0 0 94 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.281 125.5-105.6 -88.4 10.6 38.4 -39.5 36.2 114 121 A N T < 5S+ 0 0 33 -3,-2.3 30,-1.5 1,-0.2 2,-0.4 0.892 74.4 133.8 70.4 44.6 38.1 -40.8 32.6 115 122 A V E < -J 143 0C 0 -5,-2.4 2,-0.5 28,-0.2 28,-0.2 -0.981 42.3-156.2-130.9 133.6 38.1 -37.5 30.7 116 123 A L E -J 142 0C 1 26,-2.5 26,-1.7 -2,-0.4 58,-0.1 -0.905 3.2-163.7-102.9 133.6 40.0 -36.4 27.6 117 124 A H - 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0 0 1 -6,-0.3 -1,-0.3 1,-0.1 -3,-0.2 -0.843 45.1-159.3-166.6 127.0 27.1 -37.3 11.4 608 192 D D S S+ 0 0 134 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.590 85.7 43.5 -82.5 -11.8 28.8 -39.7 9.1 609 193 D Q S S- 0 0 68 0, 0.0 2,-0.1 0, 0.0 46,-0.1 -0.974 93.0 -99.9-135.8 149.0 27.8 -42.7 11.3 610 194 D G - 0 0 25 -2,-0.3 -11,-0.1 1,-0.1 -2,-0.1 -0.431 23.4-153.1 -68.6 137.6 24.6 -43.7 13.1 611 195 D F + 0 0 3 -13,-0.2 5,-0.2 -2,-0.1 2,-0.2 0.971 68.5 91.0 -74.7 -57.6 24.5 -42.9 16.8 612 196 D I + 0 0 14 -18,-0.1 -48,-0.1 4,-0.1 -2,-0.1 -0.200 55.0 146.6 -48.4 107.1 22.1 -45.5 18.2 613 197 D T > - 0 0 14 -2,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.841 63.7 -91.7-136.2 169.8 24.3 -48.4 19.1 614 198 D P H > S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.963 126.0 43.0 -47.6 -65.5 24.1 -51.1 21.8 615 199 D A H > S+ 0 0 16 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.873 115.5 49.6 -47.5 -48.7 26.2 -49.0 24.3 616 200 D N H > S+ 0 0 11 -5,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.900 107.9 51.5 -64.1 -40.9 24.4 -45.8 23.5 617 201 D V H X S+ 0 0 4 -4,-3.2 4,-3.2 -3,-0.3 5,-0.3 0.967 113.0 48.3 -59.8 -46.1 20.9 -47.3 23.8 618 202 D V H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.944 109.4 50.4 -56.8 -51.1 22.1 -48.5 27.2 619 203 D F H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.920 114.6 47.2 -52.3 -41.7 23.5 -45.1 28.1 620 204 D L H X S+ 0 0 4 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.889 107.0 53.3 -68.8 -40.5 20.1 -43.8 27.1 621 205 D Y H X S+ 0 0 6 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.880 103.7 62.1 -62.2 -32.9 18.2 -46.4 29.0 622 206 D M H X S+ 0 0 0 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.939 107.7 39.6 -57.7 -50.2 20.3 -45.2 31.9 623 207 D L H >X S+ 0 0 0 -4,-1.4 4,-0.8 2,-0.2 3,-0.7 0.988 115.7 49.8 -63.7 -59.2 18.9 -41.6 31.8 624 208 D C H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-1.5 0.878 102.3 67.6 -42.6 -47.4 15.3 -42.6 31.0 625 209 D R H 3< S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.899 114.1 23.6 -38.5 -63.1 15.5 -45.0 34.0 626 210 D D H << S+ 0 0 72 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.279 129.0 46.9 -94.1 11.0 15.8 -42.3 36.6 627 211 D V H << S+ 0 0 36 -3,-1.5 2,-0.5 -4,-0.8 -3,-0.2 0.783 78.7 88.7-119.0 -46.3 14.1 -39.5 34.6 628 212 D I S < S- 0 0 2 -4,-2.2 -1,-0.1 -5,-0.2 10,-0.1 -0.420 75.9-130.6 -61.6 110.4 10.9 -40.6 32.9 629 213 D S > - 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