==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAR-07 2P9T . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE, TESTIS SPECIFIC; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR G.M.SAWYER,A.F.MONZINGO,E.C.POTEET,J.D.ROBERTUS . 413 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 0 0 2 2 0 2 1 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 3 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 4 A A 0 0 99 0, 0.0 412,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 24.3 22.8 5.3 28.9 2 5 A K B -A 412 0A 30 410,-0.3 410,-0.3 411,-0.1 179,-0.1 -0.830 360.0 -93.2-112.3 148.1 21.9 7.8 26.2 3 6 A L - 0 0 25 408,-3.3 179,-2.7 177,-0.3 2,-0.3 -0.331 45.6-142.7 -54.6 131.0 21.9 11.6 26.3 4 7 A T B > -b 182 0B 22 177,-0.3 3,-2.0 1,-0.1 179,-0.2 -0.742 15.5-120.0-102.6 149.5 18.5 12.9 27.3 5 8 A L G > S+ 0 0 0 177,-2.1 3,-2.0 -2,-0.3 5,-0.1 0.886 111.6 57.9 -50.8 -49.3 16.7 16.0 26.0 6 9 A D G 3 S+ 0 0 71 1,-0.3 -1,-0.3 3,-0.1 177,-0.1 0.516 101.8 57.8 -63.4 -4.9 16.5 17.7 29.3 7 10 A K G < S+ 0 0 149 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.277 88.3 93.4-107.9 7.3 20.3 17.5 29.6 8 11 A V S < S- 0 0 15 -3,-2.0 2,-1.2 -4,-0.1 148,-0.0 -0.827 75.4-129.7-105.2 141.8 21.0 19.4 26.5 9 12 A D + 0 0 97 -2,-0.4 -3,-0.1 1,-0.2 41,-0.0 -0.757 31.8 172.9 -90.1 94.2 21.6 23.2 26.3 10 13 A L > + 0 0 2 -2,-1.2 3,-2.4 39,-0.2 42,-0.4 0.363 20.7 146.0 -83.1 1.9 19.2 24.1 23.5 11 14 A K T 3 S- 0 0 138 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.198 84.6 -18.1 -47.6 112.0 19.7 27.9 24.0 12 15 A G T 3 S+ 0 0 34 38,-3.0 2,-0.4 1,-0.2 -1,-0.3 0.834 105.1 136.3 57.2 37.2 19.4 29.3 20.5 13 16 A K < - 0 0 93 -3,-2.4 40,-0.8 37,-0.2 39,-0.8 -0.937 57.0-123.2-118.6 137.3 19.9 26.0 18.8 14 17 A R E -c 53 0B 28 -2,-0.4 141,-2.7 38,-0.2 142,-1.8 -0.633 28.8-148.2 -75.9 132.9 18.0 24.6 15.8 15 18 A V E -cd 54 156B 0 38,-2.0 40,-3.5 -2,-0.3 2,-0.7 -0.911 11.8-164.8-111.4 119.5 16.4 21.3 16.7 16 19 A I E -cd 55 157B 0 140,-2.5 142,-2.3 -2,-0.5 2,-0.5 -0.917 21.1-172.6-101.6 112.8 16.0 18.6 14.1 17 20 A M E -cd 56 158B 0 38,-3.3 40,-2.0 -2,-0.7 2,-0.5 -0.935 20.3-151.8-118.3 128.2 13.6 16.0 15.7 18 21 A R E +cd 57 159B 0 140,-2.3 142,-2.9 -2,-0.5 143,-0.7 -0.792 28.5 167.5 -92.4 127.3 12.5 12.6 14.4 19 22 A V - 0 0 1 38,-2.2 2,-0.8 -2,-0.5 40,-0.3 -0.865 40.5-113.4-133.4 169.1 9.0 11.7 15.6 20 23 A D + 0 0 8 140,-0.4 38,-0.1 -2,-0.3 143,-0.1 -0.880 44.1 154.3-109.4 99.4 6.5 9.0 14.8 21 24 A F + 0 0 0 -2,-0.8 2,-2.4 38,-0.4 -1,-0.1 0.115 27.2 128.8-106.6 15.7 3.5 10.8 13.3 22 25 A N + 0 0 44 38,-0.1 38,-0.1 13,-0.1 13,-0.1 -0.513 39.6 168.9 -72.4 78.6 2.4 7.7 11.3 23 26 A V - 0 0 5 -2,-2.4 2,-0.1 1,-0.1 10,-0.1 -0.694 43.9 -90.3 -97.5 150.9 -1.1 7.9 12.6 24 27 A P - 0 0 69 0, 0.0 7,-2.4 0, 0.0 8,-0.6 -0.375 51.5-163.3 -61.1 129.8 -4.1 5.9 11.3 25 28 A M E -H 30 0C 60 5,-0.2 5,-0.2 6,-0.1 2,-0.2 -0.651 20.8-174.9-112.8 169.8 -5.9 7.8 8.6 26 29 A K E > S-H 29 0C 139 3,-1.5 3,-0.6 -2,-0.2 0, 0.0 -0.683 79.4 -16.3-167.1 104.6 -9.2 7.7 6.8 27 30 A N T 3 S- 0 0 128 1,-0.3 3,-0.1 -2,-0.2 44,-0.0 0.931 128.7 -52.3 62.0 46.3 -10.0 9.9 3.8 28 31 A N T 3 S+ 0 0 84 1,-0.2 2,-0.4 43,-0.2 -1,-0.3 0.687 118.5 120.1 63.0 18.2 -7.1 12.1 4.6 29 32 A Q E < -H 26 0C 122 -3,-0.6 -3,-1.5 48,-0.0 2,-0.4 -0.931 66.1-123.0-117.8 140.2 -8.5 12.4 8.2 30 33 A I E -H 25 0C 42 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.663 21.2-176.8 -82.9 126.9 -6.8 11.3 11.4 31 34 A T S S+ 0 0 92 -7,-2.4 2,-0.2 -2,-0.4 -6,-0.1 0.420 78.4 25.0-100.7 -1.6 -8.7 8.7 13.4 32 35 A N - 0 0 35 -8,-0.6 3,-0.3 1,-0.0 -1,-0.3 -0.709 53.8-179.7-164.9 107.8 -6.2 8.7 16.3 33 36 A N >> + 0 0 42 -2,-0.2 4,-2.5 1,-0.2 3,-0.8 0.217 50.7 115.2 -95.3 13.7 -3.8 11.5 17.2 34 37 A Q H 3> S+ 0 0 36 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.908 76.6 48.8 -48.1 -54.3 -2.2 9.7 20.2 35 38 A R H 3> S+ 0 0 56 -3,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.777 111.4 52.9 -61.8 -24.6 1.2 9.6 18.5 36 39 A I H X> S+ 0 0 0 -3,-0.8 3,-1.1 2,-0.2 4,-0.6 0.951 111.6 41.5 -75.4 -49.7 0.9 13.3 17.8 37 40 A K H >< S+ 0 0 107 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.823 105.0 68.5 -66.1 -30.4 0.1 14.4 21.3 38 41 A A H 3< S+ 0 0 22 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.766 100.6 47.5 -59.8 -27.3 2.7 12.0 22.6 39 42 A A H S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.915 108.2 43.6 -46.9 -52.7 6.1 17.3 25.7 42 45 A S H > S+ 0 0 0 -3,-0.4 4,-2.3 -4,-0.3 -2,-0.2 0.909 115.1 49.7 -60.8 -42.8 9.5 17.2 23.8 43 46 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.924 112.8 45.7 -62.8 -46.3 8.4 19.9 21.4 44 47 A K H X S+ 0 0 94 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.902 110.1 54.4 -64.0 -43.9 7.2 22.3 24.2 45 48 A H H X S+ 0 0 33 -4,-2.6 4,-1.4 -5,-0.3 6,-0.2 0.941 107.8 51.1 -55.5 -48.4 10.4 21.7 26.2 46 49 A C H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-0.4 0.936 114.0 42.2 -54.8 -51.3 12.5 22.7 23.2 47 50 A L H ><5S+ 0 0 41 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.841 114.0 51.6 -66.1 -34.6 10.6 25.9 22.7 48 51 A D H 3<5S+ 0 0 129 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.679 106.0 57.1 -76.7 -18.1 10.5 26.7 26.3 49 52 A N T 3<5S- 0 0 76 -4,-1.4 -1,-0.2 -3,-0.4 -39,-0.2 -0.016 126.4 -89.0-104.2 29.1 14.2 26.2 26.7 50 53 A G T < 5 + 0 0 37 -3,-0.9 -38,-3.0 1,-0.2 -37,-0.2 0.543 65.4 164.6 82.4 8.0 15.4 28.7 24.1 51 54 A A < - 0 0 5 -5,-2.2 59,-0.6 -6,-0.2 -1,-0.2 -0.379 34.6-144.8 -61.3 133.0 15.4 26.6 21.0 52 55 A K S S- 0 0 48 -39,-0.8 59,-1.2 -42,-0.4 58,-1.2 0.859 75.4 -20.0 -65.2 -35.4 15.6 28.8 17.9 53 56 A S E -ce 14 111B 0 -40,-0.8 -38,-2.0 57,-0.2 2,-0.4 -0.977 53.0-135.9-164.7 167.7 13.4 26.3 16.0 54 57 A V E -ce 15 112B 0 57,-2.6 59,-2.2 -2,-0.3 2,-0.5 -0.892 16.0-164.4-140.2 104.5 12.1 22.7 15.9 55 58 A V E -ce 16 113B 0 -40,-3.5 -38,-3.3 -2,-0.4 2,-0.4 -0.810 12.6-156.4 -91.9 125.0 12.1 20.9 12.6 56 59 A L E +ce 17 114B 0 57,-4.1 59,-3.0 -2,-0.5 2,-0.4 -0.837 13.0 179.8-107.0 139.0 9.9 17.7 12.7 57 60 A M E +c 18 0B 0 -40,-2.0 -38,-2.2 -2,-0.4 2,-0.3 -0.997 12.2 142.3-141.7 136.5 10.2 14.7 10.4 58 61 A S - 0 0 0 -2,-0.4 60,-2.1 58,-0.2 2,-0.2 -0.933 38.6-114.1-156.9 173.8 8.3 11.5 10.1 59 62 A H - 0 0 9 -40,-0.3 -38,-0.4 -2,-0.3 2,-0.3 -0.679 19.6-153.2-110.7 168.7 7.0 8.9 7.7 60 63 A L - 0 0 6 -2,-0.2 -38,-0.1 1,-0.2 59,-0.0 -0.936 56.3 -35.5-147.0 119.7 3.3 8.1 7.0 61 64 A G S S- 0 0 20 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.210 94.2 -60.0 64.4-158.0 2.1 4.7 5.7 62 65 A R + 0 0 161 1,-0.1 -1,-0.2 -3,-0.1 58,-0.0 -0.660 55.2 163.7-129.3 78.8 4.3 2.9 3.3 63 66 A P > - 0 0 4 0, 0.0 3,-0.8 0, 0.0 66,-0.2 0.543 43.4-137.4 -68.4 -9.3 4.9 4.9 0.1 64 67 A D T 3 - 0 0 53 1,-0.2 65,-1.9 64,-0.1 58,-0.1 0.845 67.1 -49.8 52.7 39.5 7.8 2.6 -0.8 65 68 A G T 3 S+ 0 0 16 54,-1.5 57,-0.6 56,-0.2 -1,-0.2 0.764 111.4 117.3 75.6 24.5 10.0 5.5 -1.9 66 69 A I S < S- 0 0 54 -3,-0.8 2,-0.4 53,-0.5 -1,-0.2 -0.988 71.5-114.4-129.3 124.9 7.5 7.2 -4.2 67 70 A P + 0 0 86 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.398 43.2 164.1 -58.1 110.8 6.1 10.7 -3.7 68 71 A M >> + 0 0 53 -2,-0.4 4,-2.3 1,-0.1 3,-1.9 -0.450 7.8 155.2-128.5 58.4 2.3 10.1 -3.0 69 72 A P H 3> + 0 0 70 0, 0.0 4,-0.7 0, 0.0 6,-0.1 0.746 67.1 69.6 -57.9 -25.1 1.2 13.5 -1.6 70 73 A D H 34 S+ 0 0 149 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.715 123.5 6.4 -68.2 -19.7 -2.4 12.8 -2.7 71 74 A K H <4 S+ 0 0 134 -3,-1.9 -1,-0.2 -44,-0.0 -43,-0.2 0.423 135.6 41.5-142.5 -1.1 -2.8 10.0 -0.2 72 75 A Y H < S+ 0 0 69 -4,-2.3 45,-0.2 -11,-0.1 -2,-0.1 0.096 74.1 132.7-137.1 23.5 0.2 9.9 2.1 73 76 A S < - 0 0 7 -4,-0.7 4,-0.1 -5,-0.2 43,-0.1 -0.428 52.5-141.9 -76.7 152.6 1.0 13.6 2.8 74 77 A L S >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.1 3,-1.0 0.359 77.1 104.0 -93.0 4.8 1.7 14.7 6.3 75 78 A E H 3> S+ 0 0 79 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.874 76.3 54.9 -54.2 -41.0 -0.1 18.0 5.7 76 79 A P H 3> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.817 107.6 51.8 -62.3 -28.7 -3.2 16.7 7.7 77 80 A V H <> S+ 0 0 0 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.865 104.3 55.4 -74.0 -38.3 -0.8 16.0 10.6 78 81 A A H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.902 109.8 47.0 -61.4 -40.2 0.6 19.6 10.4 79 82 A D H X S+ 0 0 93 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.903 113.5 47.5 -68.3 -42.5 -3.0 20.9 10.8 80 83 A E H X S+ 0 0 50 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.914 112.6 48.6 -65.2 -43.1 -3.8 18.6 13.7 81 84 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 6,-0.2 0.867 108.7 55.6 -64.6 -35.3 -0.5 19.5 15.5 82 85 A K H X>S+ 0 0 89 -4,-1.8 4,-1.4 -5,-0.2 5,-1.2 0.913 109.9 44.4 -64.1 -42.8 -1.3 23.2 14.9 83 86 A S H <5S+ 0 0 61 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.873 112.0 52.6 -70.1 -37.6 -4.7 22.9 16.7 84 87 A L H <5S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.844 121.0 32.6 -67.6 -32.1 -3.2 20.8 19.5 85 88 A L H <5S- 0 0 15 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.530 94.9-137.0 -99.1 -11.5 -0.5 23.4 20.2 86 89 A N T <5S+ 0 0 149 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.897 71.4 111.8 53.0 40.4 -2.5 26.5 19.2 87 90 A K S S- 0 0 26 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.224 87.1 -67.1 108.7 161.2 16.2 20.2 -1.4 98 101 A P H > S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.842 129.5 55.2 -53.6 -38.2 17.3 23.9 -1.6 99 102 A E H > S+ 0 0 148 2,-0.2 4,-2.1 1,-0.2 -2,-0.1 0.922 111.6 42.5 -63.3 -45.2 13.8 25.1 -0.5 100 103 A V H > S+ 0 0 4 -3,-0.3 4,-1.8 -4,-0.3 5,-0.2 0.924 113.2 52.7 -66.5 -47.5 13.8 22.9 2.6 101 104 A E H X S+ 0 0 68 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.916 112.1 45.7 -54.5 -46.9 17.4 23.8 3.5 102 105 A Q H X S+ 0 0 138 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.903 109.9 53.6 -65.9 -42.1 16.6 27.5 3.2 103 106 A A H < S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.805 119.9 33.4 -63.7 -29.2 13.5 27.3 5.2 104 107 A C H < S+ 0 0 0 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.573 93.8 93.4-102.0 -12.2 15.3 25.5 8.1 105 108 A A H < S- 0 0 34 -4,-1.6 -2,-0.1 1,-0.2 -3,-0.1 0.889 115.0 -15.3 -46.7 -53.0 18.7 27.4 7.7 106 109 A N S < S- 0 0 110 -4,-0.7 -1,-0.2 -3,-0.0 -2,-0.1 -0.385 81.4-175.7-156.5 67.5 17.9 30.1 10.2 107 110 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.120 39.7 -83.8 -63.2 163.5 14.1 30.2 11.0 108 111 A D > - 0 0 139 1,-0.1 3,-1.8 2,-0.1 -2,-0.0 -0.416 63.0 -80.5 -68.4 145.1 12.6 32.8 13.3 109 112 A N T 3 S+ 0 0 131 1,-0.3 -56,-0.2 -3,-0.1 -57,-0.2 -0.172 119.1 22.0 -49.1 130.0 12.8 32.1 17.0 110 113 A G T 3 S+ 0 0 20 -58,-1.2 -1,-0.3 -59,-0.6 2,-0.2 0.519 85.8 158.8 89.2 6.1 10.1 29.7 18.1 111 114 A S E < -e 53 0B 18 -3,-1.8 -57,-2.6 -59,-1.2 2,-0.6 -0.446 26.5-161.2 -70.0 131.0 9.5 28.3 14.6 112 115 A I E -e 54 0B 1 -24,-0.4 -22,-2.8 -2,-0.2 2,-0.4 -0.964 13.6-175.9-113.5 115.9 7.9 24.9 14.3 113 116 A I E -ef 55 90B 2 -59,-2.2 -57,-4.1 -2,-0.6 2,-0.5 -0.949 12.4-161.4-118.4 134.3 8.5 23.2 10.9 114 117 A L E -ef 56 91B 0 -24,-3.0 -22,-2.6 -2,-0.4 -57,-0.2 -0.962 12.8-149.2-117.5 118.4 7.0 19.9 9.7 115 118 A L - 0 0 0 -59,-3.0 -20,-0.2 -2,-0.5 -57,-0.2 -0.293 26.7 -96.7 -78.4 165.8 8.7 18.2 6.8 116 119 A E - 0 0 5 -22,-1.1 -58,-0.2 1,-0.2 -1,-0.1 -0.381 65.1 -54.0 -81.6 163.1 6.9 16.0 4.3 117 120 A N > - 0 0 0 -45,-0.2 3,-1.4 1,-0.2 -58,-0.2 -0.038 47.1-149.0 -36.1 116.4 6.7 12.2 4.4 118 121 A L G > S+ 0 0 0 -60,-2.1 3,-1.2 1,-0.3 6,-0.4 0.770 92.2 66.5 -65.2 -25.4 10.3 10.9 4.6 119 122 A R G 3 S+ 0 0 6 1,-0.3 -54,-1.5 -61,-0.2 -53,-0.5 0.349 72.8 86.7 -80.9 9.1 9.3 7.7 2.7 120 123 A F G < S+ 0 0 14 -3,-1.4 2,-0.5 -55,-0.2 -1,-0.3 0.552 89.4 62.6 -78.4 -8.6 8.6 9.7 -0.4 121 124 A H S X> S- 0 0 39 -3,-1.2 3,-1.5 -55,-0.2 4,-0.5 -0.978 80.8-143.8-119.0 128.8 12.3 9.1 -0.9 122 125 A V H 3>>S+ 0 0 25 -57,-0.6 4,-2.3 -2,-0.5 5,-0.5 0.789 94.7 74.8 -60.4 -26.0 13.7 5.6 -1.3 123 126 A E H 345S+ 0 0 23 1,-0.2 47,-0.3 2,-0.2 -1,-0.3 0.725 84.0 65.5 -60.4 -25.1 16.8 6.8 0.7 124 127 A E H <45S+ 0 0 1 -3,-1.5 46,-2.8 -6,-0.4 -1,-0.2 0.986 118.1 20.9 -62.5 -61.0 14.9 6.8 4.0 125 128 A E H <5S- 0 0 35 -4,-0.5 -2,-0.2 2,-0.3 -1,-0.2 0.705 105.4-122.5 -81.4 -20.1 14.3 3.1 4.2 126 129 A G T <5S+ 0 0 24 -4,-2.3 12,-2.3 -5,-0.2 2,-0.3 0.383 83.4 34.8 94.0 -5.3 17.1 2.2 1.8 127 130 A K E < +I 137 0D 102 -5,-0.5 2,-0.3 10,-0.3 -2,-0.3 -0.975 56.6 137.9-165.2 174.3 14.8 0.4 -0.6 128 131 A G E -I 136 0D 5 8,-2.5 8,-2.6 -2,-0.3 2,-0.3 -0.903 46.1 -66.6 175.8-145.7 11.3 0.3 -2.1 129 132 A K E -I 135 0D 82 -65,-1.9 6,-0.2 6,-0.3 -2,-0.0 -0.986 33.4-133.7-140.4 147.5 9.4 -0.2 -5.3 130 133 A D > - 0 0 50 4,-2.1 3,-0.9 -2,-0.3 -64,-0.1 -0.030 46.7 -79.0 -85.7-164.9 9.1 1.7 -8.6 131 134 A S T 3 S+ 0 0 122 1,-0.2 -1,-0.0 2,-0.1 -65,-0.0 0.786 129.0 53.9 -69.3 -28.2 6.0 2.6 -10.6 132 135 A S T 3 S- 0 0 73 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.513 120.8-104.2 -85.2 -5.2 5.7 -0.8 -12.1 133 136 A G S < S+ 0 0 45 -3,-0.9 2,-0.4 1,-0.3 -2,-0.1 0.563 72.3 143.8 94.8 10.2 5.8 -2.5 -8.7 134 137 A K - 0 0 124 1,-0.1 -4,-2.1 0, 0.0 -1,-0.3 -0.694 53.2-116.8 -89.0 132.5 9.4 -3.8 -8.9 135 138 A K E -I 129 0D 178 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.459 38.1-176.0 -68.2 131.2 11.5 -3.8 -5.8 136 139 A I E -I 128 0D 76 -8,-2.6 -8,-2.5 -2,-0.2 2,-0.4 -0.913 20.5-132.8-129.2 156.3 14.5 -1.6 -6.0 137 140 A S E -I 127 0D 105 -2,-0.3 -10,-0.3 -10,-0.2 -14,-0.1 -0.924 28.9-113.6-111.5 133.0 17.5 -0.8 -3.7 138 141 A A - 0 0 11 -12,-2.3 3,-0.0 -2,-0.4 -1,-0.0 -0.247 35.4-104.0 -63.0 148.4 18.6 2.8 -2.9 139 142 A D > - 0 0 79 1,-0.1 4,-2.3 4,-0.0 3,-0.2 -0.601 22.0-132.6 -77.1 130.2 21.9 3.9 -4.2 140 143 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.877 106.8 49.2 -47.0 -49.3 24.7 4.1 -1.5 141 144 A A H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.906 110.9 50.2 -60.5 -43.6 25.8 7.5 -2.6 142 145 A K H > S+ 0 0 118 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 107.2 54.4 -62.7 -42.3 22.2 8.9 -2.5 143 146 A V H X S+ 0 0 24 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.945 108.9 47.8 -57.9 -50.5 21.6 7.5 0.9 144 147 A E H X S+ 0 0 128 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.897 113.0 48.6 -57.9 -41.9 24.7 9.3 2.3 145 148 A A H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.867 109.3 53.1 -66.6 -37.1 23.6 12.6 0.6 146 149 A F H X S+ 0 0 11 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.942 112.1 44.5 -64.0 -46.0 20.0 12.2 2.0 147 150 A R H X S+ 0 0 59 -4,-2.4 4,-1.8 1,-0.2 29,-0.4 0.884 111.5 52.9 -66.7 -37.8 21.4 11.8 5.5 148 151 A A H X S+ 0 0 44 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.846 109.1 51.9 -65.0 -34.0 23.8 14.7 5.1 149 152 A S H >< S+ 0 0 25 -4,-2.0 3,-0.5 1,-0.2 4,-0.4 0.915 108.5 47.9 -68.7 -47.4 20.9 16.9 3.9 150 153 A L H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.867 105.4 60.6 -62.8 -35.9 18.7 16.1 6.9 151 154 A S H >< S+ 0 0 9 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.798 97.3 59.1 -62.3 -30.2 21.6 16.8 9.3 152 155 A K T << S+ 0 0 121 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.615 87.7 76.1 -75.3 -12.2 21.9 20.4 8.1 153 156 A L T < S+ 0 0 1 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.557 105.5 24.3 -76.6 -7.4 18.3 21.1 9.1 154 157 A G < - 0 0 2 -3,-1.0 -139,-0.2 -4,-0.2 3,-0.1 -0.979 59.2-141.6-152.2 161.5 19.2 21.3 12.8 155 158 A D S S+ 0 0 54 -141,-2.7 24,-0.4 -2,-0.3 2,-0.4 0.662 96.3 32.5 -95.8 -22.0 22.2 22.0 15.1 156 159 A V E S-d 15 0B 7 -142,-1.8 -140,-2.5 22,-0.1 2,-0.4 -0.996 78.5-135.8-137.7 138.4 21.1 19.3 17.6 157 160 A Y E -dg 16 180B 6 22,-2.8 24,-2.7 -2,-0.4 2,-0.4 -0.826 18.1-177.6-102.6 134.0 19.3 16.0 17.0 158 161 A V E -dg 17 181B 3 -142,-2.3 -140,-2.3 -2,-0.4 2,-0.6 -0.993 9.7-161.0-129.5 129.4 16.5 14.6 19.0 159 162 A N E +dg 18 182B 0 22,-2.4 24,-2.1 -2,-0.4 -140,-0.2 -0.921 27.0 151.9-114.3 109.6 14.8 11.3 18.4 160 163 A D + 0 0 1 -142,-2.9 2,-1.8 -2,-0.6 -140,-0.4 0.212 38.7 113.9-115.7 10.3 11.3 10.9 20.0 161 164 A A >> + 0 0 0 -143,-0.7 3,-1.3 -142,-0.3 4,-0.9 -0.485 26.9 156.5 -83.5 69.5 10.0 8.4 17.5 162 165 A F G >4 + 0 0 0 -2,-1.8 3,-0.9 1,-0.3 4,-0.3 0.904 69.9 63.8 -60.9 -38.9 9.7 5.4 19.8 163 166 A G G 34 S+ 0 0 5 -3,-0.3 -1,-0.3 1,-0.3 231,-0.3 0.691 113.7 32.2 -59.0 -19.8 7.1 4.0 17.4 164 167 A T G X4 S+ 0 0 2 -3,-1.3 3,-3.7 1,-0.1 -1,-0.3 0.417 84.3 112.6-115.0 -3.0 9.8 3.6 14.7 165 168 A A T << S+ 0 0 0 -3,-0.9 241,-3.1 -4,-0.9 242,-0.4 0.657 73.1 60.4 -44.8 -24.7 12.8 3.0 17.1 166 169 A H T 3 S+ 0 0 40 -4,-0.3 2,-0.6 238,-0.2 -1,-0.3 0.580 88.7 87.6 -82.1 -11.0 13.1 -0.6 15.7 167 170 A R < - 0 0 87 -3,-3.7 2,-1.6 1,-0.1 -3,-0.1 -0.798 66.3-154.2 -94.0 119.7 13.7 0.7 12.2 168 171 A A + 0 0 59 -2,-0.6 2,-0.1 237,-0.1 -1,-0.1 -0.319 44.2 151.1 -86.6 55.9 17.3 1.5 11.3 169 172 A H >> - 0 0 16 -2,-1.6 4,-2.1 -5,-0.2 3,-1.4 -0.397 60.9-100.0 -85.8 165.1 16.2 4.0 8.7 170 173 A S H 3> S+ 0 0 1 -46,-2.8 4,-2.7 -47,-0.3 5,-0.3 0.892 122.9 45.5 -49.8 -49.9 18.1 7.1 7.6 171 174 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -153,-0.1 0.650 116.8 49.0 -72.1 -11.6 16.2 9.6 9.7 172 175 A M H <4 S+ 0 0 0 -3,-1.4 -2,-0.2 -48,-0.2 -1,-0.2 0.695 133.3 5.0 -98.1 -26.8 16.5 7.2 12.6 173 176 A V H < S+ 0 0 48 -4,-2.1 -3,-0.2 -3,-0.2 -2,-0.2 0.407 115.9 70.4-138.6 -2.9 20.2 6.4 12.6 174 177 A G < + 0 0 14 -4,-2.7 2,-0.6 -5,-0.5 -3,-0.2 0.422 60.7 116.7-101.7 3.1 21.8 8.5 9.9 175 178 A V - 0 0 6 -5,-0.3 2,-1.0 -25,-0.1 -27,-0.1 -0.605 49.3-158.5 -76.2 118.8 21.7 12.0 11.4 176 179 A N + 0 0 130 -2,-0.6 -1,-0.1 -29,-0.4 -2,-0.0 -0.725 36.1 131.9-102.7 86.2 25.2 13.3 12.0 177 180 A L - 0 0 16 -2,-1.0 -21,-0.1 1,-0.1 -22,-0.1 -0.918 65.3-112.3-128.1 155.3 25.2 16.0 14.6 178 181 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -22,-0.1 0.866 105.9 43.2 -55.4 -39.9 27.4 16.4 17.7 179 182 A Q + 0 0 71 -24,-0.4 -22,-2.8 232,-0.1 2,-0.5 -0.950 60.4 173.6-117.1 124.4 24.5 15.8 20.0 180 183 A K E + g 0 157B 43 -2,-0.5 231,-3.1 -24,-0.2 -177,-0.3 -0.936 18.6 174.2-126.0 101.9 21.9 13.1 19.5 181 184 A A E - g 0 158B 2 -24,-2.7 -22,-2.4 -2,-0.5 -177,-0.3 -0.758 32.1-111.9-113.4 157.3 19.5 12.9 22.4 182 185 A S E -bg 4 159B 8 -179,-2.7 -177,-2.1 -2,-0.3 -22,-0.2 -0.588 33.7-127.9 -82.7 147.2 16.4 10.9 23.2 183 186 A G > - 0 0 0 -24,-2.1 4,-1.7 -2,-0.2 5,-0.2 -0.196 29.9 -95.7 -82.6-177.6 13.2 12.8 23.5 184 187 A F H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.901 123.7 47.3 -67.1 -44.2 10.7 12.7 26.4 185 188 A L H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 109.6 54.3 -64.1 -44.9 8.5 10.0 24.8 186 189 A M H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.918 113.5 40.9 -56.0 -46.0 11.4 7.8 23.8 187 190 A K H X S+ 0 0 54 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.849 113.1 52.9 -74.1 -34.0 12.8 7.7 27.4 188 191 A K H X S+ 0 0 90 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.897 111.7 47.4 -66.2 -40.3 9.4 7.3 29.1 189 192 A E H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 5,-0.2 0.952 114.3 46.4 -64.6 -50.8 8.6 4.4 26.8 190 193 A L H X S+ 0 0 33 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.911 109.3 53.5 -58.6 -48.1 12.0 2.8 27.4 191 194 A D H X S+ 0 0 89 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.858 105.6 55.1 -58.7 -37.3 11.9 3.2 31.2 192 195 A Y H X S+ 0 0 76 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.961 112.6 39.6 -61.7 -53.1 8.5 1.5 31.4 193 196 A F H X S+ 0 0 4 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.779 114.0 57.8 -68.8 -24.7 9.6 -1.7 29.7 194 197 A S H X S+ 0 0 49 -4,-2.0 4,-1.5 -5,-0.2 3,-0.4 0.980 108.7 41.8 -67.3 -57.9 13.0 -1.6 31.5 195 198 A K H X S+ 0 0 121 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.842 114.2 53.6 -57.3 -38.1 11.6 -1.6 35.0 196 199 A A H < S+ 0 0 4 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.824 115.3 40.2 -68.5 -30.9 9.0 -4.3 34.0 197 200 A L H < S+ 0 0 31 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.603 129.5 27.1 -94.3 -12.3 11.8 -6.5 32.6 198 201 A E H < S+ 0 0 154 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.2 0.768 134.9 18.2-115.1 -45.0 14.3 -5.9 35.4 199 202 A K S < S+ 0 0 145 -4,-1.8 -2,-0.1 -5,-0.3 2,-0.1 -0.567 82.1 175.3-129.9 66.9 12.6 -5.0 38.6 200 203 A P - 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0 0 17 23,-1.2 26,-2.9 -2,-0.4 27,-0.2 -0.939 57.6-108.7 177.8 163.2 -1.9 -13.3 18.4 211 214 A A S S+ 0 0 71 -2,-0.3 2,-0.3 24,-0.3 -1,-0.1 0.926 98.5 40.0 -72.6 -47.9 -2.8 -15.4 15.3 212 215 A K - 0 0 125 1,-0.1 24,-0.2 -3,-0.1 -1,-0.1 -0.792 57.2-156.3-109.0 149.3 0.4 -17.4 15.0 213 216 A V S > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 0.810 88.6 71.1 -86.9 -32.6 2.6 -18.9 17.7 214 217 A K G > S+ 0 0 67 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.877 96.1 49.3 -51.2 -48.5 5.7 -18.9 15.4 215 218 A D G 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.447 112.7 48.6 -76.2 2.7 6.2 -15.2 15.5 216 219 A K G <> S+ 0 0 24 -3,-1.9 4,-3.0 2,-0.1 -1,-0.2 0.199 77.6 102.6-125.1 15.8 5.9 -15.0 19.3 217 220 A I H <> S+ 0 0 19 -3,-1.1 4,-2.7 -4,-0.2 5,-0.2 0.952 87.3 40.6 -63.8 -53.4 8.3 -17.8 20.3 218 221 A Q H > S+ 0 0 99 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.867 116.3 53.4 -64.3 -35.3 11.2 -15.6 21.3 219 222 A L H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.971 112.2 42.5 -61.8 -55.4 8.7 -13.2 23.0 220 223 A I H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.924 113.2 53.0 -56.2 -51.7 7.2 -16.0 25.1 221 224 A K H < S+ 0 0 100 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.913 110.7 45.9 -52.2 -50.0 10.5 -17.6 26.0 222 225 A N H >< S+ 0 0 26 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.895 112.5 51.7 -63.5 -40.1 12.0 -14.3 27.3 223 226 A M H >X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 3,-1.8 0.825 99.2 63.9 -65.3 -35.0 8.8 -13.5 29.2 224 227 A L T 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.622 93.1 65.0 -68.0 -10.7 8.8 -17.0 30.9 225 228 A D T <4 S+ 0 0 63 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.508 118.0 19.5 -89.0 -4.8 12.1 -16.0 32.6 226 229 A K T <4 S+ 0 0 61 -3,-1.8 -2,-0.2 -4,-0.1 -22,-0.1 0.628 103.2 83.6-133.0 -31.4 10.5 -13.2 34.6 227 230 A V < - 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