==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-MAY-10 2XE6 . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.J.CLIFF,N.J.BAXTER,G.M.BLACKBURN,A.MERLI,M.VAS,J.P.WALTHO, . 413 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 72.4 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 . 27 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.8 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 . 7 1.7 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 4 0 0 0 4 1 0 2 1 1 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 N 0 0 148 0, 0.0 412,-3.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.8 21.9 13.0 12.8 2 5 A K B -A 412 0A 44 410,-0.3 410,-0.2 1,-0.1 2,-0.1 -0.698 360.0-114.9-113.0 141.9 21.4 13.2 16.6 3 6 A L - 0 0 21 408,-2.7 179,-2.5 177,-0.3 2,-0.3 -0.426 35.9-164.3 -64.2 139.1 22.5 11.4 19.6 4 7 A T B > -b 182 0B 31 177,-0.3 3,-1.8 -2,-0.1 4,-0.4 -0.906 31.3-108.1-130.4 161.8 19.8 9.5 21.5 5 8 A L G > S+ 0 0 0 177,-2.3 3,-1.5 -2,-0.3 178,-0.1 0.776 110.7 65.2 -59.3 -34.8 19.5 8.0 24.9 6 9 A D G 3 S+ 0 0 69 1,-0.3 -1,-0.3 176,-0.2 177,-0.1 0.746 108.4 42.1 -62.0 -27.5 19.6 4.4 23.8 7 10 A K G < S+ 0 0 171 -3,-1.8 2,-0.4 2,-0.1 -1,-0.3 0.425 94.8 102.9 -99.6 2.2 23.2 5.0 22.7 8 11 A L < - 0 0 9 -3,-1.5 2,-0.6 -4,-0.4 148,-0.0 -0.679 65.9-138.4 -88.9 135.0 24.2 7.0 25.6 9 12 A D + 0 0 80 -2,-0.4 -2,-0.1 1,-0.1 41,-0.1 -0.830 28.9 167.0 -90.9 115.8 26.3 5.6 28.4 10 13 A V > + 0 0 2 -2,-0.6 3,-2.7 39,-0.2 42,-0.4 0.376 21.1 138.1-108.4 3.5 25.0 6.8 31.7 11 14 A K T 3 S- 0 0 129 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.301 86.8 -5.8 -63.4 123.6 26.7 4.5 34.2 12 15 A G T 3 S+ 0 0 47 38,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.598 109.3 129.0 71.5 14.5 27.9 6.5 37.1 13 16 A K < - 0 0 56 -3,-2.7 39,-1.7 40,-0.0 40,-1.2 -0.763 61.5-128.7-106.9 145.1 26.8 9.7 35.4 14 17 A R E -c 53 0B 28 -2,-0.3 141,-2.5 38,-0.2 142,-1.6 -0.808 28.9-153.8 -83.0 125.1 24.6 12.5 36.7 15 18 A V E -cd 54 156B 0 38,-2.1 40,-2.8 -2,-0.5 2,-0.6 -0.946 8.1-160.8-104.9 120.4 21.9 13.0 34.0 16 19 A V E -cd 55 157B 0 140,-2.4 142,-1.9 -2,-0.5 2,-0.5 -0.916 20.7-171.4 -96.8 122.8 20.3 16.5 33.7 17 20 A M E -cd 56 158B 0 38,-3.0 40,-2.1 -2,-0.6 2,-0.5 -0.966 21.0-148.7-123.2 121.3 17.1 16.0 31.8 18 21 A R E +cd 57 159B 0 140,-1.8 142,-3.1 -2,-0.5 143,-0.5 -0.749 28.6 172.4 -82.2 129.5 14.7 18.5 30.4 19 22 A V - 0 0 0 38,-2.2 2,-0.8 -2,-0.5 40,-0.3 -0.841 38.1-118.2-127.1 159.9 11.2 17.2 30.5 20 23 A D + 0 0 12 140,-0.3 38,-0.1 -2,-0.3 19,-0.1 -0.891 43.4 156.1-103.5 101.2 7.9 18.7 29.8 21 24 A F + 0 0 0 -2,-0.8 2,-1.9 38,-0.4 -1,-0.1 -0.144 25.2 131.4-111.9 28.5 6.0 18.5 33.1 22 25 A N + 0 0 43 38,-0.1 38,-0.1 13,-0.1 3,-0.1 -0.518 39.2 168.3 -84.4 68.1 3.8 21.4 32.1 23 26 A V - 0 0 5 -2,-1.9 2,-0.1 1,-0.1 10,-0.1 -0.444 42.9 -91.0 -84.6 154.7 0.7 19.4 33.1 24 27 A P - 0 0 64 0, 0.0 7,-2.5 0, 0.0 8,-1.0 -0.453 50.0-170.9 -65.2 139.1 -2.8 20.7 33.6 25 28 A M E -H 30 0C 58 5,-0.3 2,-0.3 6,-0.2 5,-0.2 -0.887 18.3-174.4-128.6 154.0 -3.5 21.8 37.1 26 29 A K E > S-H 29 0C 145 3,-2.6 3,-1.2 -2,-0.3 0, 0.0 -0.902 74.9 -14.0-148.2 123.7 -6.5 22.8 39.2 27 30 A N T 3 S- 0 0 127 -2,-0.3 3,-0.1 1,-0.2 44,-0.0 0.847 128.0 -49.0 52.5 43.3 -6.3 24.1 42.7 28 31 A N T 3 S+ 0 0 99 1,-0.2 2,-0.3 43,-0.2 -1,-0.2 0.589 119.7 94.5 79.1 14.7 -2.7 23.0 43.4 29 32 A Q E < S-H 26 0C 124 -3,-1.2 -3,-2.6 47,-0.0 2,-0.2 -0.980 78.5-100.4-136.6 153.8 -3.2 19.5 42.1 30 33 A I E -H 25 0C 37 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.489 25.1-176.8 -72.1 128.4 -2.6 17.7 38.8 31 34 A T S S+ 0 0 89 -7,-2.5 2,-0.3 1,-0.3 -6,-0.2 0.569 77.9 25.4 -98.0 -16.4 -5.6 17.0 36.5 32 35 A N - 0 0 42 -8,-1.0 3,-0.4 1,-0.0 -1,-0.3 -0.840 56.8-177.6-148.3 115.9 -3.8 15.1 33.8 33 36 A N >> + 0 0 43 -2,-0.3 4,-2.2 1,-0.2 3,-0.8 0.312 51.6 109.2 -95.5 13.1 -0.6 13.2 34.4 34 37 A Q H 3> S+ 0 0 61 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.874 76.1 55.0 -60.5 -39.8 0.1 12.0 30.9 35 38 A R H 3> S+ 0 0 57 -3,-0.4 4,-0.6 2,-0.2 -1,-0.3 0.814 111.0 46.9 -61.3 -37.2 3.0 14.3 30.3 36 39 A I H X> S+ 0 0 0 -3,-0.8 3,-1.2 2,-0.2 4,-0.5 0.947 112.0 47.7 -67.6 -49.5 4.7 12.9 33.4 37 40 A K H >< S+ 0 0 103 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.866 103.7 65.0 -58.1 -37.2 4.0 9.3 32.6 38 41 A A H 3< S+ 0 0 16 -4,-2.4 -1,-0.3 -5,-0.3 4,-0.2 0.749 101.4 48.4 -60.2 -33.4 5.4 9.9 29.1 39 42 A A H S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.912 109.1 45.0 -58.6 -41.7 10.7 5.4 30.1 42 45 A S H > S+ 0 0 0 -3,-0.4 4,-1.8 -4,-0.2 -2,-0.2 0.905 115.5 47.4 -63.5 -42.7 13.7 7.7 29.8 43 46 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.930 112.8 48.2 -65.5 -45.1 14.0 8.1 33.5 44 47 A K H X S+ 0 0 103 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.900 108.5 54.7 -61.4 -43.9 13.7 4.4 34.2 45 48 A F H X S+ 0 0 48 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.919 108.1 49.7 -58.4 -43.1 16.3 3.7 31.5 46 49 A C H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 -1,-0.2 0.940 115.1 42.7 -62.3 -46.3 18.7 6.0 33.2 47 50 A L H ><5S+ 0 0 39 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.920 113.6 51.2 -65.1 -45.1 18.2 4.5 36.6 48 51 A D H 3<5S+ 0 0 123 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 108.9 53.7 -61.0 -31.8 18.3 0.9 35.2 49 52 A N T 3<5S- 0 0 61 -4,-1.9 -1,-0.3 -5,-0.3 -39,-0.2 0.100 125.2 -94.5 -97.3 22.7 21.5 1.6 33.5 50 53 A G T < 5 + 0 0 42 -3,-1.4 -38,-2.4 1,-0.2 -3,-0.2 0.535 57.6 170.1 85.7 13.2 23.4 2.9 36.5 51 54 A A < - 0 0 4 -5,-2.3 59,-0.6 -40,-0.2 -1,-0.2 -0.212 32.1-142.3 -57.4 138.8 23.0 6.7 36.4 52 55 A K S S- 0 0 57 -39,-1.7 58,-1.2 -42,-0.4 59,-1.1 0.912 79.3 -8.5 -66.2 -45.1 24.2 8.3 39.6 53 56 A S E -ce 14 111B 0 -40,-1.2 -38,-2.1 57,-0.2 2,-0.4 -0.979 52.1-145.1-145.9 162.7 21.4 10.8 39.4 54 57 A V E -ce 15 112B 0 57,-2.4 59,-2.4 -2,-0.3 2,-0.6 -0.934 17.3-168.8-129.8 115.5 18.6 12.0 37.4 55 58 A V E -ce 16 113B 0 -40,-2.8 -38,-3.0 -2,-0.4 2,-0.4 -0.893 10.1-158.4-105.3 116.1 17.9 15.7 37.6 56 59 A L E -ce 17 114B 0 57,-3.3 59,-2.2 -2,-0.6 2,-0.3 -0.745 10.3-176.6-103.2 134.9 14.6 16.7 36.1 57 60 A M E +c 18 0B 0 -40,-2.1 -38,-2.2 -2,-0.4 2,-0.3 -0.993 12.6 144.5-135.9 143.4 13.8 20.3 34.9 58 61 A S - 0 0 0 -2,-0.3 60,-2.5 58,-0.2 2,-0.2 -0.959 38.2-117.4-156.4 164.9 10.7 21.8 33.4 59 62 A H - 0 0 7 -2,-0.3 -38,-0.4 -40,-0.3 2,-0.3 -0.646 20.5-155.9 -96.0 166.8 8.5 24.9 33.3 60 63 A L - 0 0 7 -2,-0.2 -38,-0.1 1,-0.2 59,-0.1 -0.911 55.3 -38.1-141.7 123.3 4.9 25.0 34.5 61 64 A G S S- 0 0 19 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.140 90.5 -58.6 64.1-155.4 2.5 27.5 33.1 62 65 A R + 0 0 157 1,-0.1 -1,-0.2 -3,-0.1 58,-0.0 -0.653 57.6 154.8-132.5 72.7 3.5 31.1 32.3 63 66 A P > - 0 0 6 0, 0.0 3,-0.5 0, 0.0 66,-0.2 0.556 49.0-137.2 -72.5 -12.8 4.9 32.8 35.3 64 67 A D T 3 - 0 0 54 1,-0.2 65,-2.6 -3,-0.1 56,-0.1 0.782 61.6 -48.8 59.0 38.9 6.8 35.1 33.0 65 68 A G T 3 S+ 0 0 15 54,-1.8 57,-0.7 1,-0.3 55,-0.2 0.717 109.8 104.1 80.5 26.9 10.1 35.2 34.9 66 69 A V S < S- 0 0 37 -3,-0.5 -1,-0.3 53,-0.4 2,-0.2 -0.980 79.1-102.0-131.5 141.6 9.0 36.0 38.4 67 70 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.520 41.1 171.9 -67.4 128.8 9.0 33.4 41.2 68 71 A M >> + 0 0 54 -2,-0.2 4,-2.5 4,-0.1 3,-1.3 -0.506 8.9 159.6-133.9 64.8 5.4 32.4 41.8 69 72 A P H 3> S+ 0 0 70 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.757 73.3 53.7 -61.8 -30.8 5.7 29.5 44.2 70 73 A D H 34 S+ 0 0 151 2,-0.1 -2,-0.0 1,-0.1 -42,-0.0 0.644 122.1 26.7 -78.9 -16.6 2.1 29.7 45.4 71 74 A K H <4 S+ 0 0 129 -3,-1.3 -43,-0.2 -44,-0.0 -1,-0.1 0.760 131.4 24.2-111.6 -40.9 0.6 29.5 42.0 72 75 A Y H < S+ 0 0 63 -4,-2.5 45,-0.2 -11,-0.0 2,-0.2 -0.110 76.4 145.1-125.4 32.6 2.9 27.7 39.6 73 76 A S < - 0 0 21 -4,-0.5 4,-0.2 -5,-0.1 43,-0.1 -0.505 42.8-146.9 -72.8 146.1 5.1 25.3 41.7 74 77 A L >> + 0 0 0 -2,-0.2 4,-1.2 1,-0.2 3,-0.7 0.360 69.9 108.9 -90.4 2.4 6.2 22.0 40.4 75 78 A E H >> S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.881 74.3 53.4 -48.0 -43.8 6.1 20.4 43.9 76 79 A P H 3> S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.839 103.8 58.9 -62.8 -33.6 3.0 18.3 43.2 77 80 A V H <> S+ 0 0 1 -3,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.903 101.0 54.1 -62.6 -36.4 4.6 16.9 40.2 78 81 A A H S+ 0 0 93 -4,-1.9 4,-1.9 2,-0.2 5,-0.9 0.941 108.3 49.3 -60.0 -41.7 7.4 9.4 43.0 83 86 A S H <5S+ 0 0 87 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.934 113.0 46.5 -64.5 -44.5 4.2 7.5 42.8 84 87 A L H <5S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.788 120.0 37.4 -64.3 -36.3 4.8 6.6 39.2 85 88 A L H <5S- 0 0 28 -4,-2.2 -1,-0.2 2,-0.3 -2,-0.2 0.653 96.0-134.4 -85.2 -22.3 8.4 5.6 39.7 86 89 A G T <5S+ 0 0 70 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.826 74.8 103.0 59.2 34.0 7.9 3.9 43.0 87 90 A K S S- 0 0 20 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.378 85.5 -59.2 110.6 171.0 22.2 28.7 42.2 98 101 A P H > S+ 0 0 111 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.851 127.7 48.6 -64.2 -40.3 24.7 27.5 44.7 99 102 A E H > S+ 0 0 169 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 114.2 46.9 -65.2 -43.7 22.4 25.4 46.9 100 103 A V H > S+ 0 0 9 -4,-0.3 4,-1.6 2,-0.2 5,-0.2 0.947 111.6 51.1 -62.1 -44.9 20.9 23.7 43.9 101 104 A E H X S+ 0 0 63 -4,-2.7 4,-1.1 1,-0.2 3,-0.3 0.936 111.9 47.9 -59.5 -42.9 24.4 23.1 42.4 102 105 A K H >X S+ 0 0 171 -4,-2.3 4,-0.6 1,-0.2 3,-0.6 0.935 109.9 51.5 -63.8 -42.2 25.5 21.6 45.7 103 106 A A H 3< S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 119.6 36.8 -63.3 -29.9 22.4 19.4 46.1 104 107 A C H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.476 92.8 91.7-100.2 -6.4 23.0 18.1 42.6 105 108 A A H << S- 0 0 52 -4,-1.1 -2,-0.1 -3,-0.6 -3,-0.1 0.867 111.7 -10.4 -61.0 -42.6 26.8 18.0 42.6 106 109 A N S < S- 0 0 110 -4,-0.6 -1,-0.2 -3,-0.1 -2,-0.1 -0.317 80.4-178.3-159.5 70.0 27.2 14.4 43.9 107 110 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.155 41.4 -80.0 -73.0 167.0 24.0 12.8 45.0 108 111 A A > - 0 0 72 1,-0.1 3,-1.7 2,-0.1 -2,-0.0 -0.298 67.4 -82.7 -63.0 147.5 23.5 9.4 46.4 109 112 A A T 3 S+ 0 0 89 1,-0.3 -57,-0.2 -3,-0.1 -56,-0.2 -0.293 115.0 20.3 -62.2 137.9 23.4 6.8 43.7 110 113 A G T 3 S+ 0 0 17 -58,-1.2 -1,-0.3 -59,-0.6 -57,-0.2 0.450 86.0 157.5 86.4 2.1 20.1 6.5 42.1 111 114 A S E < -e 53 0B 31 -3,-1.7 -57,-2.4 -59,-1.1 2,-0.4 -0.358 29.0-156.2 -66.1 137.9 18.7 9.8 43.2 112 115 A V E -e 54 0B 4 -24,-0.4 -22,-2.4 -59,-0.2 2,-0.4 -0.960 15.1-176.6-115.9 129.0 15.9 11.5 41.4 113 116 A I E -ef 55 90B 3 -59,-2.4 -57,-3.3 -2,-0.4 2,-0.5 -0.989 13.4-162.2-129.3 132.2 15.6 15.2 41.7 114 117 A L E -ef 56 91B 0 -24,-2.5 -22,-2.5 -2,-0.4 -57,-0.2 -0.985 14.4-148.7-116.7 124.2 13.1 17.6 40.4 115 118 A L - 0 0 0 -59,-2.2 -20,-0.2 -2,-0.5 -57,-0.2 -0.473 27.0 -95.1 -80.8 159.8 13.9 21.3 40.2 116 119 A E - 0 0 6 -22,-0.9 -58,-0.2 -24,-0.2 -1,-0.1 -0.268 66.5 -55.6 -71.5 166.9 11.4 24.2 40.6 117 120 A N > - 0 0 1 -45,-0.2 3,-1.4 1,-0.1 -58,-0.2 -0.080 43.9-147.6 -51.4 122.5 9.8 25.8 37.7 118 121 A L G > S+ 0 0 0 -60,-2.5 3,-1.6 1,-0.2 6,-0.3 0.804 92.5 68.3 -61.5 -32.0 12.4 27.2 35.3 119 122 A R G 3 S+ 0 0 8 1,-0.3 -54,-1.8 -61,-0.2 -53,-0.4 0.447 74.0 85.3 -78.2 2.8 10.2 30.1 34.3 120 123 A F G < S+ 0 0 16 -3,-1.4 2,-0.5 -55,-0.2 -1,-0.3 0.577 88.4 63.8 -68.7 -11.3 10.6 31.6 37.7 121 124 A H S X S- 0 0 45 -3,-1.6 3,-1.9 -55,-0.2 4,-0.5 -0.981 80.6-143.4-121.0 126.4 13.8 33.0 36.2 122 125 A V T 3> S+ 0 0 24 -57,-0.7 4,-1.7 -2,-0.5 5,-0.3 0.706 94.8 73.7 -61.3 -21.7 13.5 35.4 33.3 123 126 A E T 34 S+ 0 0 29 2,-0.2 47,-0.3 1,-0.2 -1,-0.3 0.654 83.8 65.6 -67.2 -21.6 16.6 33.8 31.8 124 127 A E T <4 S+ 0 0 1 -3,-1.9 46,-2.6 -6,-0.3 48,-0.2 0.987 117.4 22.8 -67.6 -56.9 14.8 30.7 30.8 125 128 A E T 4 S- 0 0 54 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.655 102.1-127.5 -73.8 -24.8 12.6 32.4 28.2 126 129 A G S < S+ 0 0 21 -4,-1.7 12,-2.4 -5,-0.2 2,-0.3 0.332 85.3 46.0 85.8 -6.0 14.9 35.3 27.7 127 130 A K E +I 137 0D 112 -5,-0.3 2,-0.2 10,-0.3 -2,-0.2 -0.958 60.6 134.7-155.9 164.4 12.1 37.7 28.4 128 131 A G E -I 136 0D 9 8,-2.3 8,-2.7 -2,-0.3 2,-0.3 -0.883 47.6 -72.3-176.7-154.6 9.2 38.1 30.8 129 132 A K E -I 135 0D 86 -65,-2.6 6,-0.2 6,-0.3 -2,-0.0 -0.988 38.0-124.6-129.7 143.9 7.3 40.6 32.9 130 133 A D > - 0 0 57 4,-2.4 3,-2.0 -2,-0.3 -64,-0.1 -0.207 40.0 -92.4 -81.0 178.3 8.4 42.2 36.1 131 134 A A T 3 S+ 0 0 91 1,-0.3 -1,-0.1 2,-0.1 -65,-0.0 0.537 129.2 55.0 -68.5 -9.6 6.4 42.0 39.3 132 135 A S T 3 S- 0 0 102 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.534 122.6-104.3 -98.7 -5.5 4.8 45.2 38.2 133 136 A G S < S+ 0 0 41 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.456 71.8 142.4 93.5 5.8 3.7 43.8 34.9 134 137 A N - 0 0 95 1,-0.1 -4,-2.4 -5,-0.0 -1,-0.3 -0.605 56.0-115.0 -80.6 135.9 6.2 45.5 32.8 135 138 A K E -I 129 0D 176 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.533 43.3-179.1 -65.3 134.2 7.6 43.7 29.8 136 139 A V E -I 128 0D 51 -8,-2.7 -8,-2.3 -2,-0.2 2,-0.4 -0.950 23.2-141.7-135.5 155.1 11.3 42.9 30.3 137 140 A K E -I 127 0D 151 -2,-0.3 -10,-0.3 -10,-0.2 -14,-0.1 -0.906 28.1-116.5-112.1 143.9 14.2 41.3 28.5 138 141 A A - 0 0 16 -12,-2.4 3,-0.0 -2,-0.4 -15,-0.0 -0.395 31.2-110.3 -72.5 158.9 16.8 39.2 30.2 139 142 A E > - 0 0 108 1,-0.1 4,-2.5 -2,-0.1 3,-0.3 -0.703 18.6-126.1 -93.9 143.2 20.4 40.3 30.1 140 143 A P H > S+ 0 0 101 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.875 107.9 48.5 -59.9 -43.6 23.0 38.4 28.1 141 144 A A H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.879 114.3 48.4 -63.5 -39.8 25.5 37.8 30.9 142 145 A K H > S+ 0 0 110 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.876 107.9 52.8 -67.2 -40.4 22.7 36.6 33.1 143 146 A I H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.928 110.2 49.0 -60.8 -43.8 21.3 34.3 30.6 144 147 A E H X S+ 0 0 128 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.939 111.0 50.5 -61.8 -39.5 24.7 32.7 30.1 145 148 A A H X S+ 0 0 58 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.909 108.9 51.2 -65.5 -41.1 25.1 32.3 33.8 146 149 A F H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.961 112.9 45.6 -61.9 -47.2 21.7 30.7 34.0 147 150 A R H X S+ 0 0 57 -4,-2.4 4,-1.9 1,-0.2 29,-0.4 0.869 111.6 52.7 -61.6 -37.9 22.7 28.2 31.3 148 151 A A H X S+ 0 0 55 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.863 108.7 51.1 -64.0 -41.1 26.0 27.6 33.0 149 152 A S H >< S+ 0 0 11 -4,-1.9 3,-1.0 -5,-0.2 4,-0.5 0.948 109.5 47.3 -67.2 -46.7 24.3 26.8 36.2 150 153 A L H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-0.2 0.901 106.9 59.4 -60.2 -36.9 21.9 24.3 34.7 151 154 A S H >< S+ 0 0 10 -4,-1.9 3,-0.7 1,-0.3 -1,-0.2 0.739 97.8 60.0 -63.8 -27.0 24.8 22.7 32.9 152 155 A K T << S+ 0 0 129 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.607 86.5 76.6 -68.8 -21.3 26.5 22.0 36.2 153 156 A L T < S+ 0 0 0 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.582 102.6 27.1 -74.9 -8.4 23.7 19.8 37.4 154 157 A G < - 0 0 1 -3,-0.7 -139,-0.2 -4,-0.2 3,-0.1 -0.953 58.2-139.8-147.7 162.2 24.7 16.9 35.3 155 158 A D S S+ 0 0 60 -141,-2.5 24,-0.3 -2,-0.3 2,-0.3 0.725 98.5 20.7 -88.9 -34.8 27.5 15.1 33.5 156 159 A V E S-d 15 0B 4 -142,-1.6 -140,-2.4 22,-0.1 2,-0.4 -0.922 78.3-134.8-131.6 157.4 25.4 14.4 30.4 157 160 A Y E -dg 16 180B 7 22,-2.2 24,-2.5 -2,-0.3 2,-0.4 -0.949 15.0-174.3-119.8 134.8 22.1 16.0 29.1 158 161 A V E -dg 17 181B 0 -142,-1.9 -140,-1.8 -2,-0.4 2,-0.5 -0.983 10.4-156.5-124.0 136.4 19.0 14.4 27.8 159 162 A N E +dg 18 182B 0 22,-2.2 24,-2.2 -2,-0.4 -140,-0.2 -0.962 28.1 153.8-113.2 110.7 16.1 16.3 26.3 160 163 A D + 0 0 1 -142,-3.1 2,-1.7 -2,-0.5 -140,-0.3 0.150 38.6 114.3-112.5 11.0 12.8 14.4 26.5 161 164 A A > + 0 0 0 -143,-0.5 3,-1.3 -142,-0.2 4,-0.4 -0.435 26.7 156.5 -86.9 65.1 10.7 17.5 26.5 162 165 A F G > S+ 0 0 0 -2,-1.7 3,-1.6 1,-0.3 4,-0.3 0.887 70.5 62.0 -57.6 -38.4 8.9 17.0 23.2 163 166 A G G 3 S+ 0 0 6 1,-0.3 231,-0.4 -3,-0.3 -1,-0.3 0.744 112.5 37.3 -58.9 -25.9 6.1 19.2 24.3 164 167 A T G X S+ 0 0 3 -3,-1.3 3,-2.4 1,-0.1 -1,-0.3 0.363 81.9 111.4-105.6 3.8 8.5 22.1 24.6 165 168 A A T < S+ 0 0 0 -3,-1.6 241,-2.3 -4,-0.4 242,-0.3 0.678 70.4 62.1 -61.3 -25.3 10.7 21.3 21.6 166 169 A H T 3 S+ 0 0 33 -4,-0.3 2,-0.6 -3,-0.2 -1,-0.3 0.555 88.1 88.9 -72.6 -12.8 9.5 24.3 19.6 167 170 A R < - 0 0 85 -3,-2.4 2,-1.8 237,-0.1 5,-0.0 -0.814 65.0-153.8 -97.9 119.9 10.9 26.7 22.3 168 171 A A + 0 0 58 -2,-0.6 2,-0.2 -43,-0.1 -3,-0.1 -0.409 45.1 151.4 -86.7 57.6 14.4 27.9 22.0 169 172 A H >>> - 0 0 21 -2,-1.8 4,-2.1 -5,-0.2 3,-2.0 -0.496 60.8-103.1 -90.7 160.9 14.6 28.4 25.8 170 173 A S H 3>5S+ 0 0 0 -46,-2.6 4,-2.2 -47,-0.3 5,-0.1 0.887 121.5 46.8 -56.3 -43.3 17.7 28.2 27.9 171 174 A S H 345S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -153,-0.1 0.605 117.1 46.9 -67.2 -19.6 16.9 24.7 29.3 172 175 A M H <45S+ 0 0 1 -3,-2.0 -2,-0.2 -48,-0.2 -1,-0.2 0.732 132.9 6.9 -99.0 -33.2 16.1 23.5 25.9 173 176 A V H <5S+ 0 0 44 -4,-2.1 -3,-0.2 -3,-0.1 -2,-0.2 0.461 117.4 67.9-124.9 -12.2 18.9 24.7 23.7 174 177 A G << + 0 0 12 -4,-2.2 2,-0.5 -5,-0.5 -23,-0.2 0.246 59.2 117.0-105.7 10.1 21.5 26.2 26.1 175 178 A V - 0 0 7 -5,-0.1 2,-0.9 -25,-0.1 -27,-0.1 -0.699 50.2-153.3 -83.2 125.2 22.9 23.4 28.1 176 179 A N + 0 0 130 -2,-0.5 -2,-0.0 -29,-0.4 -1,-0.0 -0.825 39.6 129.7-107.7 91.8 26.6 22.9 27.5 177 180 A L - 0 0 22 -2,-0.9 -21,-0.1 -20,-0.0 -22,-0.1 -0.946 65.8-111.8-134.2 158.8 27.7 19.4 28.1 178 181 A P S S+ 0 0 115 0, 0.0 2,-0.5 0, 0.0 -22,-0.1 0.833 104.7 41.3 -62.7 -37.3 29.7 17.1 25.8 179 182 A Q + 0 0 70 -24,-0.3 -22,-2.2 232,-0.0 2,-0.5 -0.980 61.2 177.1-117.3 120.9 26.8 14.8 25.1 180 183 A K E - g 0 157B 55 -2,-0.5 231,-2.7 -24,-0.2 2,-0.3 -0.937 17.8-176.2-124.2 105.3 23.3 16.1 24.5 181 184 A A E - g 0 158B 0 -24,-2.5 -22,-2.2 -2,-0.5 2,-0.3 -0.795 27.2-122.1-111.4 137.9 20.9 13.3 23.7 182 185 A G E -bg 4 159B 2 -179,-2.5 -177,-2.3 -2,-0.3 -176,-0.2 -0.594 34.7-130.2 -70.2 133.3 17.3 13.0 22.7 183 186 A G > - 0 0 0 -24,-2.2 4,-2.3 -2,-0.3 5,-0.2 -0.098 28.0 -93.4 -76.4 176.3 15.2 10.9 25.1 184 187 A F H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.851 124.7 48.0 -63.2 -38.4 12.9 8.1 24.3 185 188 A L H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.916 110.7 50.9 -67.7 -42.7 9.8 10.3 24.1 186 189 A M H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.922 113.8 46.6 -60.1 -42.0 11.5 12.8 21.9 187 190 A K H X S+ 0 0 74 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.925 113.0 46.9 -65.3 -47.5 12.5 10.0 19.7 188 191 A K H X S+ 0 0 106 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.908 113.4 47.4 -64.8 -45.1 9.2 8.4 19.5 189 192 A E H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.954 114.3 46.2 -60.9 -49.5 7.3 11.6 18.9 190 193 A L H X S+ 0 0 36 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.912 110.7 54.2 -62.0 -41.9 9.6 12.8 16.1 191 194 A N H X S+ 0 0 95 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.896 107.8 48.5 -64.7 -38.7 9.6 9.4 14.5 192 195 A Y H X S+ 0 0 73 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.951 116.6 42.8 -63.1 -49.3 5.8 9.2 14.3 193 196 A F H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.861 110.8 53.4 -65.1 -39.9 5.6 12.7 12.8 194 197 A A H X S+ 0 0 33 -4,-2.8 4,-3.2 2,-0.2 5,-0.4 0.915 111.2 47.4 -62.3 -45.0 8.5 12.4 10.3 195 198 A K H X S+ 0 0 74 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.915 111.6 50.7 -63.1 -42.7 7.1 9.3 8.9 196 199 A A H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.917 118.1 38.6 -61.5 -44.9 3.7 10.9 8.6 197 200 A L H < S+ 0 0 27 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.893 130.3 26.1 -69.8 -41.8 5.2 13.8 6.9 198 201 A E H < S+ 0 0 152 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.864 135.3 11.8 -91.0 -43.8 7.7 12.0 4.7 199 202 A S S < S+ 0 0 75 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.1 -0.414 78.2 172.5-140.8 52.7 6.7 8.5 4.0 200 203 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.315 39.2-111.2 -68.7 151.3 3.1 8.1 5.1 201 204 A E - 0 0 97 127,-0.1 127,-0.2 2,-0.1 128,-0.1 -0.556 60.6 -90.3 -67.4 145.1 1.0 5.0 4.5 202 205 A R S S+ 0 0 113 -2,-0.2 2,-0.2 126,-0.2 125,-0.0 -0.940 105.3 48.1-129.1 147.3 -1.6 6.1 2.0 203 206 A P S S- 0 0 44 0, 0.0 125,-2.5 0, 0.0 126,-1.6 0.396 79.4-162.9 -66.9 145.2 -4.3 7.3 1.7 204 207 A F E -j 329 0E 0 124,-0.2 24,-2.8 123,-0.2 25,-1.9 -0.951 5.6-168.4-107.3 117.0 -3.1 9.8 4.2 205 208 A L E -jk 330 229E 0 124,-2.2 126,-2.2 -2,-0.5 2,-0.4 -0.943 8.1-162.8-109.7 131.1 -6.0 11.7 5.8 206 209 A A E -jk 331 230E 0 23,-1.9 25,-2.1 -2,-0.5 2,-0.6 -0.915 4.7-160.0-107.0 132.1 -5.6 14.8 8.0 207 210 A I E -jk 332 231E 0 124,-2.7 126,-2.9 -2,-0.4 2,-0.5 -0.974 14.2-176.6-115.4 111.2 -8.5 15.8 10.1 208 211 A L E +jk 333 232E 2 23,-2.6 25,-2.6 -2,-0.6 2,-0.3 -0.947 7.6 165.4-113.4 128.1 -8.2 19.4 11.1 209 212 A G E + k 0 233E 1 124,-1.8 2,-0.3 -2,-0.5 25,-0.2 -0.973 13.0 111.9-140.5 151.8 -10.7 21.0 13.4 210 213 A G - 0 0 16 23,-1.2 26,-3.0 -2,-0.3 27,-0.3 -0.939 64.0 -87.0 163.8 173.7 -10.8 24.2 15.3 211 214 A A S S+ 0 0 53 -2,-0.3 2,-0.2 24,-0.3 -1,-0.1 0.895 96.8 43.8 -71.5 -48.3 -12.4 27.6 15.7 212 215 A K - 0 0 131 1,-0.1 24,-0.2 -3,-0.1 25,-0.0 -0.600 49.9-161.7-103.4 158.0 -10.4 29.9 13.4 213 216 A V S > S+ 0 0 0 -2,-0.2 3,-2.1 22,-0.1 4,-0.4 0.704 84.9 68.0 -98.4 -36.2 -9.1 29.7 9.9 214 217 A A G > S+ 0 0 46 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.829 99.9 48.2 -60.7 -35.6 -6.5 32.4 10.0 215 218 A D G 3 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.301 109.4 53.7 -92.2 8.6 -4.2 30.6 12.3 216 219 A K G <> S+ 0 0 25 -3,-2.1 4,-3.3 2,-0.1 5,-0.3 0.273 75.5 103.4-112.8 6.3 -4.3 27.3 10.4 217 220 A I H <> S+ 0 0 47 -3,-0.7 4,-2.6 -4,-0.4 5,-0.2 0.945 83.7 42.8 -63.3 -47.7 -3.3 28.6 7.1 218 221 A Q H > S+ 0 0 113 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 116.5 52.0 -59.8 -39.5 0.3 27.5 7.1 219 222 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.946 111.4 44.4 -62.5 -49.3 -0.9 24.2 8.5 220 223 A I H X S+ 0 0 2 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.921 114.5 49.7 -63.5 -44.0 -3.5 23.6 5.9 221 224 A N H X S+ 0 0 54 -4,-2.6 4,-0.5 -5,-0.3 -2,-0.2 0.932 113.5 44.5 -62.1 -46.4 -1.2 24.6 3.0 222 225 A N H >< S+ 0 0 36 -4,-2.3 3,-1.4 -5,-0.2 4,-0.3 0.929 114.5 48.9 -62.4 -45.5 1.6 22.4 4.2 223 226 A M H >X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.3 3,-1.6 0.851 101.5 63.6 -65.2 -32.9 -0.7 19.5 4.8 224 227 A L H 3< S+ 0 0 3 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.675 102.0 53.0 -64.8 -18.7 -2.3 20.0 1.4 225 228 A D T << S+ 0 0 87 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.442 118.6 33.8 -88.7 -10.4 1.1 19.1 -0.0 226 229 A K T <4 S+ 0 0 67 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.721 102.8 75.2-112.5 -38.1 1.3 15.9 1.9 227 230 A V < - 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