==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUN-00 1F3M . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LEI,W.LU,W.MENG,M-C.PARRINI,M.J.ECK,B.J.MAYER,S.C.HARRISON . 712 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 54 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 5 1 4 2 2 2 5 1 0 1 0 2 1 0 0 1 1 0 0 0 0 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 . 0 5 5 1 1 5 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 . 5 0 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 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 78 A P 0 0 162 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 39.1 8.1 24.8 41.4 2 79 A S + 0 0 44 1,-0.2 3,-0.5 2,-0.1 0, 0.0 0.402 360.0 173.4 -10.5 102.2 10.1 23.0 44.0 3 80 A D S S+ 0 0 90 1,-0.2 -1,-0.2 3,-0.0 366,-0.0 0.088 81.5 76.4 -98.2 13.2 12.5 25.3 45.6 4 81 A F S S+ 0 0 38 366,-0.1 366,-2.6 378,-0.0 2,-0.3 -0.136 84.1 71.9-115.1 27.0 12.8 22.2 47.6 5 82 A E E -A 369 0A 87 -3,-0.5 2,-0.3 364,-0.2 364,-0.2 -0.981 57.7-174.7-142.1 150.3 14.9 20.3 45.0 6 83 A H E -A 368 0A 57 362,-1.9 362,-2.1 -2,-0.3 2,-0.2 -0.995 28.7-101.5-148.4 153.9 18.5 20.7 43.8 7 84 A T E +A 367 0A 77 -2,-0.3 2,-0.3 360,-0.2 360,-0.2 -0.501 38.8 179.6 -75.7 138.4 20.9 19.4 41.2 8 85 A I E -A 366 0A 25 358,-3.5 358,-2.8 -2,-0.2 2,-0.5 -0.931 20.5-138.9-135.6 159.5 23.4 16.8 42.3 9 86 A H E +A 365 0A 93 -2,-0.3 2,-0.4 356,-0.2 356,-0.2 -0.987 21.1 178.8-124.1 125.4 26.2 14.9 40.5 10 87 A V E -A 364 0A 0 354,-2.4 354,-1.6 -2,-0.5 2,-0.2 -0.949 5.8-167.2-125.0 145.0 26.8 11.2 41.2 11 88 A G E -B 20 0B 0 9,-2.6 9,-2.7 -2,-0.4 2,-0.4 -0.701 13.0-133.2-123.6 177.0 29.4 9.0 39.6 12 89 A F E -B 19 0B 28 7,-0.3 2,-0.7 -2,-0.2 7,-0.2 -0.999 6.4-147.7-135.1 137.4 30.1 5.3 39.4 13 90 A D E >> -B 18 0B 61 5,-2.9 4,-2.7 -2,-0.4 5,-1.3 -0.874 6.0-165.3-108.6 102.9 33.5 3.5 39.9 14 91 A A T 45S+ 0 0 59 -2,-0.7 -1,-0.1 1,-0.2 5,-0.0 0.774 84.6 57.1 -56.1 -31.7 33.7 0.4 37.7 15 92 A V T 45S+ 0 0 138 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.961 121.4 24.3 -67.4 -54.4 36.7 -1.0 39.6 16 93 A T T 45S- 0 0 83 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.681 102.8-131.1 -82.8 -18.5 35.1 -1.1 43.1 17 94 A G T <5 + 0 0 13 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.962 63.9 125.5 66.5 50.3 31.6 -1.3 41.5 18 95 A E E < -B 13 0B 109 -5,-1.3 -5,-2.9 22,-0.1 -1,-0.3 -0.996 61.3-116.7-143.0 145.3 30.4 1.5 43.8 19 96 A F E -B 12 0B 25 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.3 -0.459 26.4-143.4 -77.6 151.8 28.7 4.9 43.2 20 97 A T E S+B 11 0B 46 -9,-2.7 -9,-2.6 1,-0.2 342,-0.0 -0.969 78.9 14.2-120.8 133.4 30.5 8.1 44.3 21 98 A G S S+ 0 0 42 -2,-0.4 -1,-0.2 1,-0.2 -12,-0.1 0.788 84.3 168.9 76.7 27.3 28.8 11.1 45.8 22 99 A M - 0 0 32 -3,-0.2 -1,-0.2 1,-0.1 5,-0.1 -0.576 42.0-110.4 -77.3 127.5 25.7 9.1 46.4 23 100 A P > - 0 0 27 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.322 30.2-120.5 -55.4 140.5 23.0 10.7 48.6 24 101 A E H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.863 111.7 48.2 -54.1 -42.2 23.0 8.9 51.9 25 102 A Q H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 110.9 52.1 -68.7 -34.5 19.3 7.8 51.7 26 103 A W H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.891 108.7 51.5 -66.0 -36.7 19.8 6.7 48.1 27 104 A A H X S+ 0 0 34 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.907 110.8 46.8 -65.7 -43.2 22.8 4.5 49.3 28 105 A R H X S+ 0 0 139 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.882 112.6 51.2 -65.9 -36.6 20.6 3.0 52.0 29 106 A L H < S+ 0 0 24 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.939 109.7 48.6 -65.2 -46.2 17.9 2.4 49.5 30 107 A L H >< S+ 0 0 20 -4,-2.7 3,-1.6 1,-0.2 5,-0.4 0.871 101.7 66.7 -61.0 -37.1 20.3 0.7 47.0 31 108 A Q H 3< S+ 0 0 156 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.874 114.6 25.9 -52.4 -46.4 21.6 -1.5 49.9 32 109 A T T 3< S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.019 94.3 100.0-109.3 28.3 18.3 -3.4 50.3 33 110 A S S < S- 0 0 1 -3,-1.6 255,-0.5 2,-0.2 252,-0.2 0.641 83.7-131.8 -83.7 -17.2 17.0 -2.9 46.7 34 111 A N + 0 0 108 -4,-0.4 2,-0.7 -3,-0.3 -3,-0.1 0.567 60.6 140.8 74.1 8.2 18.1 -6.4 45.7 35 112 A I - 0 0 9 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.763 50.8-128.1 -82.4 117.9 19.7 -4.8 42.6 36 113 A T > - 0 0 64 -2,-0.7 4,-2.5 -3,-0.1 5,-0.1 -0.120 12.1-113.3 -68.1 163.8 23.0 -6.8 42.2 37 114 A K H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 119.0 49.8 -57.8 -48.3 26.5 -5.5 41.8 38 115 A S H > S+ 0 0 85 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.955 111.1 47.9 -56.0 -54.2 26.6 -6.8 38.2 39 116 A E H > S+ 0 0 33 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.865 110.8 53.5 -56.6 -36.4 23.3 -5.2 37.4 40 117 A Q H < S+ 0 0 9 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.901 113.6 41.0 -66.6 -39.5 24.6 -2.0 39.0 41 118 A K H < S+ 0 0 120 -4,-2.4 -2,-0.2 -3,-0.2 -1,-0.2 0.863 109.8 59.3 -77.4 -33.8 27.8 -2.0 36.8 42 119 A K H < S+ 0 0 169 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.929 129.4 7.0 -60.5 -43.9 25.9 -3.1 33.7 43 120 A N >X + 0 0 63 -4,-2.0 4,-1.5 -5,-0.2 3,-0.6 -0.486 67.0 162.2-144.0 74.1 23.7 0.0 33.8 44 121 A P H 3> S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.861 80.2 56.4 -54.8 -44.8 24.7 2.6 36.5 45 122 A Q H 3> S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.836 105.3 51.3 -60.0 -35.1 22.7 5.4 34.9 46 123 A A H <> S+ 0 0 5 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.869 106.7 54.2 -71.1 -37.2 19.5 3.3 35.1 47 124 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.934 113.0 42.4 -62.0 -45.8 20.1 2.7 38.7 48 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.844 112.1 53.5 -71.3 -34.5 20.4 6.4 39.4 49 126 A D H X S+ 0 0 27 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.934 110.8 48.1 -64.1 -42.9 17.4 7.2 37.1 50 127 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.908 110.5 50.0 -63.4 -44.8 15.3 4.8 39.1 51 128 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.905 109.9 51.7 -63.1 -39.4 16.4 6.1 42.5 52 129 A E H X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.891 110.1 48.8 -64.6 -38.0 15.6 9.7 41.3 53 130 A F H X S+ 0 0 9 -4,-1.9 4,-1.4 200,-0.3 -2,-0.2 0.891 110.8 49.8 -67.1 -41.2 12.1 8.5 40.2 54 131 A Y H >X S+ 0 0 54 -4,-2.3 4,-2.7 2,-0.2 3,-0.6 0.955 111.6 49.8 -61.2 -50.2 11.5 6.8 43.5 55 132 A N H 3X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.925 108.7 51.5 -54.8 -49.1 12.5 9.9 45.3 56 133 A S H 3< S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.777 114.4 43.6 -62.4 -27.8 10.2 12.2 43.2 57 134 A K H X< S+ 0 0 102 -4,-1.4 3,-0.8 -3,-0.6 -1,-0.2 0.851 112.7 51.2 -84.4 -38.3 7.2 9.9 44.0 58 135 A K H 3< S+ 0 0 140 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.835 114.2 43.8 -66.7 -34.5 8.0 9.5 47.7 59 136 A T T 3< S+ 0 0 25 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.260 95.1 90.7 -99.1 12.6 8.3 13.2 48.3 60 137 A S < - 0 0 48 -3,-0.8 309,-0.0 -5,-0.1 -4,-0.0 -0.912 54.5-159.8-113.4 137.5 5.3 14.5 46.3 61 138 A N + 0 0 161 -2,-0.4 2,-0.5 2,-0.0 -1,-0.1 -0.240 37.0 167.8 -99.5 38.7 1.8 15.1 47.7 62 139 A S - 0 0 87 -5,-0.2 2,-0.3 1,-0.0 -2,-0.1 -0.430 24.0-162.5 -67.1 111.2 0.6 15.0 44.2 63 140 A Q - 0 0 89 -2,-0.5 2,-0.4 1,-0.1 170,-0.1 -0.661 36.8-103.4 -80.5 146.9 -3.1 14.8 43.9 64 141 A K + 0 0 39 -2,-0.3 2,-0.3 168,-0.1 168,-0.1 -0.611 48.3 166.7 -86.6 136.8 -4.0 13.6 40.4 65 142 A Y - 0 0 29 -2,-0.4 2,-0.2 167,-0.1 167,-0.0 -0.894 49.0 -71.4-133.8 163.3 -5.2 16.2 37.9 66 143 A M - 0 0 18 -2,-0.3 2,-0.4 68,-0.1 166,-0.2 -0.388 50.9-162.2 -61.0 120.7 -5.7 16.1 34.2 67 144 A S E -C 209 0C 29 142,-0.5 142,-2.2 164,-0.4 2,-0.2 -0.885 4.2-159.7-109.8 138.2 -2.2 16.2 32.5 68 145 A F E -C 208 0C 78 -2,-0.4 140,-0.2 140,-0.2 139,-0.1 -0.640 19.5 -96.5-113.8 169.7 -1.7 17.2 28.8 69 146 A T 0 0 35 138,-1.7 -1,-0.1 -2,-0.2 190,-0.1 -0.076 360.0 360.0 -74.4 177.5 0.9 16.7 26.1 70 147 A D 0 0 194 0, 0.0 -1,-0.1 0, 0.0 137,-0.0 -0.932 360.0 360.0-112.6 360.0 3.6 19.1 25.0 71 !* 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 72 249 C S >> 0 0 95 0, 0.0 3,-1.2 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 45.5 -7.9 36.1 41.7 73 250 C D T 34 + 0 0 64 1,-0.2 4,-0.2 2,-0.2 357,-0.0 0.286 360.0 72.0 -69.6 14.0 -10.5 34.2 43.6 74 251 C E T 3> S+ 0 0 154 2,-0.1 4,-0.8 3,-0.1 3,-0.4 0.805 96.8 42.7 -96.2 -39.4 -12.9 36.6 41.9 75 252 C E H <> S+ 0 0 105 -3,-1.2 4,-3.0 1,-0.2 5,-0.3 0.759 97.9 76.0 -77.7 -25.6 -12.8 35.2 38.4 76 253 C I H X S+ 0 0 17 -4,-1.1 4,-1.6 1,-0.3 -1,-0.2 0.864 101.8 41.8 -52.8 -36.9 -12.9 31.7 39.7 77 254 C L H > S+ 0 0 53 -3,-0.4 4,-2.5 -4,-0.2 -1,-0.3 0.792 109.8 57.6 -80.6 -30.7 -16.6 32.3 40.2 78 255 C E H < S+ 0 0 110 -4,-0.8 4,-0.5 2,-0.2 -2,-0.2 0.959 109.2 45.2 -63.1 -50.0 -17.1 34.1 36.9 79 256 C K H >< S+ 0 0 81 -4,-3.0 3,-1.6 2,-0.2 5,-0.2 0.966 114.8 49.3 -55.8 -55.8 -15.8 31.1 35.0 80 257 C L H >X S+ 0 0 8 -4,-1.6 3,-3.6 -5,-0.3 4,-3.0 0.952 108.0 49.6 -47.3 -68.6 -18.0 28.8 37.0 81 258 C R T 3< S+ 0 0 171 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.541 107.4 60.0 -53.1 -5.8 -21.3 30.6 36.7 82 259 C S T <4 S+ 0 0 95 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.360 121.0 21.6-104.0 2.8 -20.5 30.8 33.0 83 260 C I T <4 S+ 0 0 29 -3,-3.6 73,-0.3 -4,-0.2 -2,-0.2 0.412 98.3 103.7-140.6 -17.8 -20.5 27.0 32.7 84 261 C V S < S- 0 0 25 -4,-3.0 2,-0.2 -5,-0.2 73,-0.2 -0.352 74.3-110.9 -68.3 153.3 -22.4 25.8 35.7 85 262 C S - 0 0 35 71,-3.2 73,-0.4 2,-0.1 2,-0.3 -0.596 21.3-115.7 -91.9 150.9 -26.0 24.6 35.0 86 263 C V S S+ 0 0 129 -2,-0.2 2,-0.2 71,-0.1 -1,-0.1 -0.657 76.9 48.0 -83.2 134.6 -29.2 26.3 36.0 87 264 C G S S- 0 0 50 -2,-0.3 71,-0.3 71,-0.1 -2,-0.1 -0.454 86.1 -80.5 120.9 164.9 -31.4 24.3 38.4 88 265 C D >> - 0 0 86 -2,-0.2 3,-2.4 1,-0.1 4,-1.4 -0.909 21.0-141.1-110.9 129.8 -30.8 22.5 41.7 89 266 C P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.744 100.5 70.7 -53.8 -27.1 -29.4 18.9 41.9 90 267 C K H 34 S+ 0 0 152 1,-0.2 -3,-0.0 2,-0.2 -2,-0.0 0.547 107.4 37.5 -70.0 -5.3 -31.9 18.2 44.7 91 268 C K H <4 S+ 0 0 144 -3,-2.4 -1,-0.2 3,-0.1 22,-0.1 0.760 118.9 41.3-111.8 -44.0 -34.6 18.3 42.0 92 269 C K H < S+ 0 0 99 -4,-1.4 21,-2.4 21,-0.1 22,-0.4 0.669 117.4 47.7 -81.3 -18.0 -33.1 16.7 38.9 93 270 C Y E < +D 112 0D 6 -4,-1.8 2,-0.3 19,-0.2 19,-0.2 -0.898 65.2 170.5-124.4 154.3 -31.4 13.9 40.8 94 271 C T E +D 111 0D 70 17,-1.9 17,-1.8 -2,-0.3 -3,-0.1 -0.860 47.0 58.1-148.6-178.3 -32.7 11.5 43.4 95 272 C R - 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F 0 122D 5 -7,-0.8 -8,-4.1 -2,-0.5 -7,-0.5 -0.830 10.1-179.8-102.8 128.6 -19.4 11.5 46.6 108 285 C Y E -EF 98 121D 60 13,-2.6 13,-2.4 -2,-0.5 2,-0.6 -0.722 27.7-123.6-116.1 167.5 -22.9 10.1 46.4 109 286 C T E + F 0 120D 25 -12,-1.5 11,-0.2 -2,-0.2 2,-0.2 -0.929 43.0 161.4-115.5 105.7 -24.7 7.8 43.9 110 287 C A E - F 0 119D 3 9,-1.2 9,-2.5 -2,-0.6 2,-0.3 -0.504 29.6-126.9-114.9-175.7 -27.8 9.4 42.5 111 288 C M E -DF 94 118D 61 -17,-1.8 -17,-1.9 7,-0.2 2,-0.8 -0.981 24.2-112.8-135.6 146.1 -30.2 9.0 39.5 112 289 C D E > -D 93 0D 23 5,-2.5 4,-3.0 -2,-0.3 -19,-0.2 -0.706 25.5-148.7 -80.5 112.1 -31.5 11.5 36.9 113 290 C V T 4 S+ 0 0 71 -21,-2.4 -1,-0.2 -2,-0.8 -20,-0.1 0.906 91.1 41.6 -45.3 -54.4 -35.2 11.8 37.6 114 291 C A T 4 S+ 0 0 92 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.987 130.3 19.8 -61.3 -67.9 -36.1 12.4 34.0 115 292 C T T 4 S- 0 0 100 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.556 93.1-127.7 -85.1 -8.5 -33.9 9.9 32.0 116 293 C G < + 0 0 35 -4,-3.0 2,-0.1 1,-0.2 -3,-0.1 0.554 49.3 163.6 73.9 5.7 -33.1 7.5 34.8 117 294 C Q - 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0 0 25 0, 0.0 3,-0.7 0, 0.0 -9,-0.0 -0.079 41.1-115.1 -49.6 152.9 13.0 44.1 69.9 638 463 D P T 3 S+ 0 0 32 0, 0.0 3,-0.2 0, 0.0 20,-0.2 0.905 101.1 27.1 -51.8 -63.3 11.5 40.5 70.2 639 464 D Y T > S+ 0 0 26 1,-0.2 3,-1.1 -37,-0.1 8,-0.1 -0.359 70.7 135.3-110.3 49.3 14.3 38.2 69.2 640 465 D L T < S+ 0 0 101 -3,-0.7 -1,-0.2 1,-0.3 -36,-0.0 0.907 77.9 42.7 -62.9 -46.4 17.6 40.0 70.1 641 466 D N T 3 S+ 0 0 160 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 -0.075 101.9 94.5 -93.1 34.6 19.4 37.1 71.8 642 467 D E S < S- 0 0 66 -3,-1.1 -3,-0.1 2,-0.0 -249,-0.0 -0.972 78.1-109.9-133.3 144.4 18.3 34.6 69.1 643 468 D N > - 0 0 44 -2,-0.4 4,-2.3 -250,-0.2 5,-0.2 -0.337 36.3-118.4 -62.0 145.6 19.8 33.1 66.0 644 469 D P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.940 110.3 46.0 -51.6 -58.9 17.9 34.3 62.8 645 470 D L H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.916 113.5 50.1 -55.2 -45.9 16.7 30.9 61.6 646 471 D R H > S+ 0 0 44 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.897 108.9 52.0 -61.8 -39.4 15.5 29.9 65.1 647 472 D A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 110.0 48.5 -61.9 -44.9 13.6 33.2 65.4 648 473 D L H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 111.8 50.9 -60.3 -42.5 11.9 32.6 62.1 649 474 D Y H X S+ 0 0 11 -4,-2.6 4,-2.0 -5,-0.2 5,-0.3 0.942 109.5 49.3 -59.9 -48.8 11.1 29.1 63.3 650 475 D L H X>S+ 0 0 23 -4,-3.1 5,-1.9 1,-0.2 4,-1.9 0.886 110.6 50.4 -59.0 -40.5 9.6 30.4 66.6 651 476 D I H <5S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.921 110.5 50.4 -63.5 -44.5 7.5 33.0 64.7 652 477 D A H <5S+ 0 0 16 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.813 129.0 17.8 -63.9 -33.2 6.2 30.2 62.5 653 478 D T H <5S+ 0 0 35 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.834 132.5 33.1-109.8 -49.5 5.2 27.9 65.4 654 479 D N T <5S- 0 0 111 -4,-1.9 2,-0.9 -5,-0.3 -3,-0.2 0.844 81.8-168.3 -78.4 -31.3 5.0 29.7 68.7 655 480 D G < + 0 0 1 -5,-1.9 -1,-0.2 -4,-0.1 -2,-0.1 -0.715 58.3 54.4 84.3-106.5 3.7 32.9 67.2 656 481 D T S S- 0 0 61 -2,-0.9 18,-0.0 21,-0.4 -29,-0.0 -0.291 86.0-120.4 -64.4 146.1 3.9 35.6 69.8 657 482 D P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.090 33.9 -90.3 -74.9-179.0 7.2 36.2 71.6 658 483 D E - 0 0 185 -20,-0.2 2,-0.3 3,-0.0 3,-0.0 -0.860 32.5-143.6-102.7 128.6 7.8 35.8 75.3 659 484 D L - 0 0 25 -2,-0.5 -29,-0.0 1,-0.1 -25,-0.0 -0.688 14.2-132.9 -87.8 139.7 7.3 38.9 77.6 660 485 D Q S S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.3 -26,-0.0 0.817 100.8 9.5 -61.7 -31.6 9.7 39.2 80.6 661 486 D N >> + 0 0 62 1,-0.1 3,-1.1 2,-0.0 4,-0.7 -0.455 65.6 172.9-150.3 71.9 6.8 39.9 82.9 662 487 D P T 34 S+ 0 0 55 0, 0.0 3,-0.2 0, 0.0 8,-0.1 0.733 77.0 67.6 -50.9 -27.3 3.4 39.3 81.3 663 488 D E T 34 S+ 0 0 118 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.908 89.0 62.0 -63.5 -44.5 1.7 39.9 84.7 664 489 D K T <4 S+ 0 0 144 -3,-1.1 -1,-0.2 2,-0.0 0, 0.0 0.867 89.5 83.9 -50.2 -42.1 2.7 43.6 84.9 665 490 D L S < S- 0 0 9 -4,-0.7 2,-0.1 -3,-0.2 0, 0.0 -0.194 86.2-111.9 -61.7 157.9 0.6 44.3 81.8 666 491 D S > - 0 0 38 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.289 20.8-109.4 -86.2 174.9 -3.1 44.9 82.2 667 492 D A H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.877 115.6 49.7 -72.5 -41.3 -6.0 42.7 81.1 668 493 D I H > S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 27,-0.3 0.819 113.1 47.9 -68.4 -31.9 -7.3 45.1 78.3 669 494 D F H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.960 112.6 46.3 -73.4 -52.9 -3.8 45.4 76.9 670 495 D R H X S+ 0 0 100 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.900 112.5 52.2 -56.4 -38.9 -3.0 41.7 76.9 671 496 D D H X S+ 0 0 86 -4,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.929 110.3 49.2 -61.9 -41.9 -6.4 41.2 75.4 672 497 D F H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 3,-0.3 0.950 110.2 48.9 -59.5 -53.1 -5.4 43.8 72.8 673 498 D L H X S+ 0 0 13 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.826 110.6 53.2 -57.1 -33.2 -2.1 42.0 72.1 674 499 D N H < S+ 0 0 104 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.846 105.5 51.0 -72.1 -36.8 -4.0 38.7 71.7 675 500 D R H >< S+ 0 0 79 -4,-1.9 10,-2.3 -3,-0.3 3,-0.5 0.859 116.9 43.8 -67.2 -34.0 -6.5 40.1 69.1 676 501 D C H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 2,-0.2 0.891 114.3 47.2 -76.7 -42.5 -3.4 41.3 67.2 677 502 D L T 3< S+ 0 0 11 -4,-2.5 2,-0.5 -5,-0.2 -21,-0.4 -0.177 72.6 133.7 -98.5 41.6 -1.2 38.2 67.6 678 503 D D < - 0 0 66 -3,-0.5 6,-0.2 -2,-0.2 5,-0.1 -0.796 47.0-149.9 -91.5 125.5 -3.6 35.4 66.7 679 504 D M S S+ 0 0 79 -2,-0.5 2,-1.3 -25,-0.1 -70,-0.1 0.845 80.5 85.1 -63.3 -34.8 -2.0 32.9 64.3 680 505 D D S >> S- 0 0 81 1,-0.2 3,-2.4 2,-0.1 4,-1.2 -0.573 77.6-150.0 -71.6 98.9 -5.3 32.0 62.6 681 506 D V T 34 S+ 0 0 48 -2,-1.3 3,-0.4 1,-0.3 -1,-0.2 0.790 91.1 47.0 -39.3 -44.4 -5.4 34.9 60.1 682 507 D E T 34 S+ 0 0 144 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.626 109.9 51.0 -82.0 -10.6 -9.2 35.1 60.1 683 508 D K T <4 S+ 0 0 142 -3,-2.4 2,-0.3 -5,-0.1 -1,-0.2 0.531 92.4 102.6 -94.7 -9.9 -9.6 35.0 63.8 684 509 D R S < S- 0 0 1 -4,-1.2 -8,-0.2 -3,-0.4 -9,-0.1 -0.547 83.9-106.2 -75.4 133.3 -7.1 37.8 63.9 685 510 D G - 0 0 1 -10,-2.3 2,-0.2 -2,-0.3 -1,-0.1 -0.170 29.7-136.6 -58.9 150.5 -8.5 41.3 64.5 686 511 D S > - 0 0 29 1,-0.1 4,-2.2 -4,-0.1 5,-0.1 -0.563 25.5-105.0-100.7 170.5 -8.6 43.7 61.6 687 512 D A H > S+ 0 0 5 -2,-0.2 4,-1.0 2,-0.2 -126,-0.1 0.975 118.4 46.5 -60.1 -58.0 -7.7 47.4 61.8 688 513 D K H >> S+ 0 0 142 1,-0.2 3,-1.7 2,-0.2 4,-0.8 0.944 114.8 46.7 -48.5 -58.8 -11.3 48.7 61.7 689 514 D E H >4 S+ 0 0 101 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.866 109.1 56.0 -53.0 -42.1 -12.5 46.3 64.4 690 515 D L H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 -1,-0.3 0.621 91.4 71.0 -69.3 -14.5 -9.5 47.0 66.6 691 516 D L H << S+ 0 0 33 -3,-1.7 -1,-0.2 -4,-1.0 -2,-0.2 0.908 96.1 54.2 -66.3 -39.3 -10.2 50.7 66.6 692 517 D Q T << S+ 0 0 144 -4,-0.8 -1,-0.2 -3,-0.8 2,-0.2 0.428 83.5 126.2 -73.0 0.0 -13.2 49.8 68.9 693 518 D H X> - 0 0 14 -3,-1.1 3,-1.6 1,-0.1 4,-0.7 -0.438 66.4-130.5 -71.0 132.3 -10.9 48.0 71.3 694 519 D Q T 34 S+ 0 0 101 1,-0.3 4,-0.5 -2,-0.2 3,-0.3 0.715 99.3 72.7 -48.7 -30.3 -11.1 49.0 74.9 695 520 D F T >4 S+ 0 0 0 -27,-0.3 3,-1.3 1,-0.2 -1,-0.3 0.883 92.6 53.9 -57.8 -40.7 -7.3 49.4 75.2 696 521 D L G X4 S+ 0 0 13 -3,-1.6 3,-3.3 1,-0.3 -1,-0.2 0.876 94.1 69.5 -62.7 -37.5 -7.3 52.5 73.1 697 522 D K G 3< S+ 0 0 138 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.709 93.5 59.6 -53.4 -21.3 -9.8 54.2 75.4 698 523 D I G < S+ 0 0 73 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.368 82.2 134.3 -89.6 4.7 -7.0 54.3 78.0 699 524 D A < - 0 0 29 -3,-3.3 -151,-0.2 -149,-0.2 -152,-0.1 -0.199 47.1-142.8 -60.7 141.4 -4.9 56.4 75.7 700 525 D K - 0 0 93 -153,-1.9 2,-0.2 1,-0.1 -1,-0.1 -0.386 39.5 -76.3 -92.2 175.6 -3.0 59.4 77.0 701 526 D P > - 0 0 84 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.537 34.8-125.9 -76.2 143.8 -2.5 62.6 75.0 702 527 D L G > S+ 0 0 37 1,-0.3 3,-2.5 -2,-0.2 4,-0.3 0.829 110.4 70.1 -56.4 -30.6 0.1 62.4 72.2 703 528 D S G > S+ 0 0 75 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.734 80.6 77.1 -59.5 -19.5 1.7 65.5 73.9 704 529 D S G < S+ 0 0 27 -3,-2.5 -1,-0.3 1,-0.2 4,-0.3 0.626 87.8 59.5 -65.7 -11.8 2.6 63.1 76.7 705 530 D L G X> S+ 0 0 3 -3,-2.5 4,-3.1 -122,-0.2 3,-0.6 0.678 77.4 91.5 -90.3 -21.1 5.4 61.8 74.4 706 531 D T H <> S+ 0 0 52 -3,-1.2 4,-3.2 -4,-0.3 5,-0.2 0.869 88.2 44.6 -42.9 -56.0 7.2 65.2 74.0 707 532 D P H 3> S+ 0 0 80 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 0.861 115.2 49.8 -63.0 -30.9 9.6 64.7 76.9 708 533 D L H <> S+ 0 0 27 -3,-0.6 4,-2.5 -4,-0.3 -2,-0.2 0.943 113.6 44.5 -70.6 -46.4 10.3 61.1 75.9 709 534 D I H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.963 116.0 48.0 -60.2 -50.9 11.0 62.2 72.3 710 535 D A H X S+ 0 0 48 -4,-3.2 4,-0.9 -5,-0.3 -2,-0.2 0.935 113.2 46.9 -54.3 -51.8 13.1 65.1 73.5 711 536 D A H X S+ 0 0 56 -4,-2.8 4,-1.0 -5,-0.2 3,-0.4 0.865 112.0 52.1 -59.7 -37.4 15.0 62.9 75.9 712 537 D A H X S+ 0 0 1 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.883 103.6 56.1 -68.0 -39.0 15.5 60.3 73.2 713 538 D K H < S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.715 98.2 65.3 -67.5 -19.8 17.0 62.8 70.7 714 539 D E H < S+ 0 0 85 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.966 106.0 38.1 -66.7 -53.9 19.6 63.8 73.2 715 540 D A H < S+ 0 0 60 -4,-1.0 -2,-0.1 -3,-0.2 -3,-0.1 0.971 104.6 58.0 -60.3 -90.8 21.5 60.5 73.3 716 541 D T < 0 0 46 -4,-0.6 -179,-0.0 -179,-0.1 0, 0.0 0.188 360.0 360.0 -42.3 159.3 21.6 58.9 69.8 717 542 D K 0 0 154 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.132 360.0 360.0-167.1 360.0 23.1 60.6 66.8